N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide

C19H17ClN2O3S2 — CID 22427317

IUPACN-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1c(Cl)cccc1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H17ClN2O3S2/c1-13-15(20)9-5-10-16(13)21-19(23)18(14-7-3-2-4-8-14)22-27(24,25)17-11-6-12-26-17/h2-12,18,22H,1H3,(H,21,23)
InChIKeyZAZGGGVRJCTXLW-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.37
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide

N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 22427317) has the molecular formula C19H17ClN2O3S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID22427317
Molecular FormulaC19H17ClN2O3S2
Molecular Weight420.94 g/mol
Exact Mass420.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1c(Cl)cccc1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H17ClN2O3S2/c1-13-15(20)9-5-10-16(13)21-19(23)18(14-7-3-2-4-8-14)22-27(24,25)17-11-6-12-26-17/h2-12,18,22H,1H3,(H,21,23)
InChIKeyZAZGGGVRJCTXLW-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22430597
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
CID 107314977
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864432
(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
CID 41330887
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 48529738
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 55430532
N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999909
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide (CID 22427317) is N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide is Cc1c(Cl)cccc1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is ZAZGGGVRJCTXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S2/c1-13-15(20)9-5-10-16(13)21-19(23)18(14-7-3-2-4-8-14)22-27(24,25)17-11-6-12-26-17/h2-12,18,22H,1H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 420.94 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 22427317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).