N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide

C19H17ClN2O3S2 — CID 55751629

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NC(c2ccc(Cl)cc2)c2cccs2)c1
InChIInChI=1S/C19H17ClN2O3S2/c1-27(24,25)22-16-5-2-4-14(12-16)19(23)21-18(17-6-3-11-26-17)13-7-9-15(20)10-8-13/h2-12,18,22H,1H3,(H,21,23)
InChIKeyAXWXKZIUENSSDH-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.29
Rot. Bonds6

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide (PubChem CID 55751629) has the molecular formula C19H17ClN2O3S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide
PubChem CID55751629
Molecular FormulaC19H17ClN2O3S2
Molecular Weight420.94 g/mol
Exact Mass420.04
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NC(c2ccc(Cl)cc2)c2cccs2)c1
InChIInChI=1S/C19H17ClN2O3S2/c1-27(24,25)22-16-5-2-4-14(12-16)19(23)21-18(17-6-3-11-26-17)13-7-9-15(20)10-8-13/h2-12,18,22H,1H3,(H,21,23)
InChIKeyAXWXKZIUENSSDH-UHFFFAOYSA-N
XLogP4.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 25331178
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methanesulfonamido)benzamide
CID 51647882
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 8854525
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 41307479
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide (CID 55751629) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NC(c2ccc(Cl)cc2)c2cccs2)c1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide?
The InChIKey is AXWXKZIUENSSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S2/c1-27(24,25)22-16-5-2-4-14(12-16)19(23)21-18(17-6-3-11-26-17)13-7-9-15(20)10-8-13/h2-12,18,22H,1H3,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide has a molecular weight of 420.94 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 55751629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).