3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

C19H20N2O4S3 — CID 46391720

IUPAC3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C19H20N2O4S3/c1-21(28(23,24)16-7-5-14(25-2)6-8-16)17-10-13-27-18(17)19(22)20-11-9-15-4-3-12-26-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,20,22)
InChIKeyPZDMFRNDONDWDG-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.62
Rot. Bonds8

About 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 46391720) has the molecular formula C19H20N2O4S3 and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID46391720
Molecular FormulaC19H20N2O4S3
Molecular Weight436.58 g/mol
Exact Mass436.06
IUPAC Name3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C19H20N2O4S3/c1-21(28(23,24)16-7-5-14(25-2)6-8-16)17-10-13-27-18(17)19(22)20-11-9-15-4-3-12-26-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,20,22)
InChIKeyPZDMFRNDONDWDG-UHFFFAOYSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 51364501
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methylamino]thiophene-2-carboxamide
CID 46391702
N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391674
N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 50834607
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
CID 7921898
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
5-(diethylsulfamoyl)-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 19257817
3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
CID 46391656
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391741

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 46391720) is 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCc2cccs2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is PZDMFRNDONDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S3/c1-21(28(23,24)16-7-5-14(25-2)6-8-16)17-10-13-27-18(17)19(22)20-11-9-15-4-3-12-26-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,20,22).
What are the key properties of 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46391720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).