4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide

C88H75BrN12O12S14 — CID 173252341

IUPAC4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(S(=O)(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(SC)s1.[H]/N=C(\N)c1cc(N(S(=O)(=O)c2ccc3ccccc3c2)S(=O)(=O)c2ccc3ccccc3c2)c(SC)s1.[H]/N=C(\N)c1cc(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)c(SC)s1.[H]/N=C(\N)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)c(SC)s1
InChIInChI=1S/C30H25N3O4S4.C26H21N3O4S4.C16H14BrN3O2S3.C16H15N3O2S3/c1-38-30-27(20-28(39-30)29(31)32)33(40(34,35)25-16-12-23(13-17-25)21-8-4-2-5-9-21)41(36,37)26-18-14-24(15-19-26)22-10-6-3-7-11-22;1-34-26-23(16-24(35-26)25(27)28)29(36(30,31)21-12-10-17-6-2-4-8-19(17)14-21)37(32,33)22-13-11-18-7-3-5-9-20(18)15-22;1-23-16-13(8-14(24-16)15(18)19)20-25(21,22)12-5-3-9-6-11(17)4-2-10(9)7-12;1-22-16-13(9-14(23-16)15(17)18)19-24(20,21)12-7-6-10-4-2-3-5-11(10)8-12/h2-20H,1H3,(H3,31,32);2-16H,1H3,(H3,27,28);2-8,20H,1H3,(H3,18,19);2-9,19H,1H3,(H3,17,18)
InChIKeyJEWCIABPVYJNBU-UHFFFAOYSA-N
MW2021.48 g/mol
LogP20.50
Rot. Bonds26

About 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide

4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide (PubChem CID 173252341) has the molecular formula C88H75BrN12O12S14 and a molecular weight of 2021.48 g/mol. Its IUPAC name is 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide
PubChem CID173252341
Molecular FormulaC88H75BrN12O12S14
Molecular Weight2021.48 g/mol
Exact Mass2018.09
IUPAC Name4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(S(=O)(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(SC)s1.[H]/N=C(\N)c1cc(N(S(=O)(=O)c2ccc3ccccc3c2)S(=O)(=O)c2ccc3ccccc3c2)c(SC)s1.[H]/N=C(\N)c1cc(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)c(SC)s1.[H]/N=C(\N)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)c(SC)s1
InChIInChI=1S/C30H25N3O4S4.C26H21N3O4S4.C16H14BrN3O2S3.C16H15N3O2S3/c1-38-30-27(20-28(39-30)29(31)32)33(40(34,35)25-16-12-23(13-17-25)21-8-4-2-5-9-21)41(36,37)26-18-14-24(15-19-26)22-10-6-3-7-11-22;1-34-26-23(16-24(35-26)25(27)28)29(36(30,31)21-12-10-17-6-2-4-8-19(17)14-21)37(32,33)22-13-11-18-7-3-5-9-20(18)15-22;1-23-16-13(8-14(24-16)15(18)19)20-25(21,22)12-5-3-9-6-11(17)4-2-10(9)7-12;1-22-16-13(9-14(23-16)15(17)18)19-24(20,21)12-7-6-10-4-2-3-5-11(10)8-12/h2-20H,1H3,(H3,31,32);2-16H,1H3,(H3,27,28);2-8,20H,1H3,(H3,18,19);2-9,19H,1H3,(H3,17,18)
InChIKeyJEWCIABPVYJNBU-UHFFFAOYSA-N
XLogP20.50
TPSA434.86 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002021.48
LogP ≤ 520.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide?
The IUPAC name of 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide (CID 173252341) is 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide.
What is the SMILES notation for 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide?
The canonical SMILES for 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(N(S(=O)(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(SC)s1.[H]/N=C(\N)c1cc(N(S(=O)(=O)c2ccc3ccccc3c2)S(=O)(=O)c2ccc3ccccc3c2)c(SC)s1.[H]/N=C(\N)c1cc(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)c(SC)s1.[H]/N=C(\N)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)c(SC)s1.
What is the InChIKey of 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide?
The InChIKey is JEWCIABPVYJNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4S4.C26H21N3O4S4.C16H14BrN3O2S3.C16H15N3O2S3/c1-38-30-27(20-28(39-30)29(31)32)33(40(34,35)25-16-12-23(13-17-25)21-8-4-2-5-9-21)41(36,37)26-18-14-24(15-19-26)22-10-6-3-7-11-22;1-34-26-23(16-24(35-26)25(27)28)29(36(30,31)21-12-10-17-6-2-4-8-19(17)14-21)37(32,33)22-13-11-18-7-3-5-9-20(18)15-22;1-23-16-13(8-14(24-16)15(18)19)20-25(21,22)12-5-3-9-6-11(17)4-2-10(9)7-12;1-22-16-13(9-14(23-16)15(17)18)19-24(20,21)12-7-6-10-4-2-3-5-11(10)8-12/h2-20H,1H3,(H3,31,32);2-16H,1H3,(H3,27,28);2-8,20H,1H3,(H3,18,19);2-9,19H,1H3,(H3,17,18).
What are the key properties of 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide?
4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide has a molecular weight of 2021.48 g/mol, XLogP of 20.50, 26 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(naphthalen-2-ylsulfonyl)amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[bis[(4-phenylphenyl)sulfonyl]amino]-5-methylsulfanylthiophene-2-carboximidamide;4-[(6-bromonaphthalen-2-yl)sulfonylamino]-5-methylsulfanylthiophene-2-carboximidamide;5-methylsulfanyl-4-(naphthalen-2-ylsulfonylamino)thiophene-2-carboximidamide is sourced from PubChem (CID 173252341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).