2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide

C14H15ClN2O3S2 — CID 9341591

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-10-4-3-5-11(8-10)16-13(18)9-17(2)22(19,20)14-7-6-12(15)21-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeySJKSFCRVJPDISA-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.97
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide (PubChem CID 9341591) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
PubChem CID9341591
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-10-4-3-5-11(8-10)16-13(18)9-17(2)22(19,20)14-7-6-12(15)21-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeySJKSFCRVJPDISA-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46584820
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38238252
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55813723
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 9304443
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55812298
4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide
CID 55705298

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide (CID 9341591) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is SJKSFCRVJPDISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-10-4-3-5-11(8-10)16-13(18)9-17(2)22(19,20)14-7-6-12(15)21-14/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 9341591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).