N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide

C21H22N2O4S2 — CID 46391674

IUPACN-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H22N2O4S2/c1-15-7-9-18(10-8-15)29(25,26)23(2)19-11-12-28-20(19)21(24)22-14-16-5-4-6-17(13-16)27-3/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyJFLCOYZQSKMWSN-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.82
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide

N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 46391674) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
PubChem CID46391674
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H22N2O4S2/c1-15-7-9-18(10-8-15)29(25,26)23(2)19-11-12-28-20(19)21(24)22-14-16-5-4-6-17(13-16)27-3/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyJFLCOYZQSKMWSN-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 50834607
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391741
N-[(4-ethylphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391672
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methylamino]thiophene-2-carboxamide
CID 46391702
N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391736
3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
CID 46391656
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46391720
N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391737
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53279465
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 51364501
N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (CID 46391674) is N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is COc1cccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is JFLCOYZQSKMWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-15-7-9-18(10-8-15)29(25,26)23(2)19-11-12-28-20(19)21(24)22-14-16-5-4-6-17(13-16)27-3/h4-13H,14H2,1-3H3,(H,22,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 46391674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).