3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide

C19H21ClN2O2S — CID 2194290

IUPAC3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O2S/c1-13(2)11-21-19(24)14-4-3-5-16(10-14)22-18(23)12-25-17-8-6-15(20)7-9-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRXJJHFJUXNLUAJ-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.46
Rot. Bonds7

About 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide

3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 2194290) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID2194290
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O2S/c1-13(2)11-21-19(24)14-4-3-5-16(10-14)22-18(23)12-25-17-8-6-15(20)7-9-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRXJJHFJUXNLUAJ-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide
CID 35065040
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
3-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methylpropyl)benzamide
CID 131929456
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2524577
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19630153
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 2969914
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide (CID 2194290) is 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is RXJJHFJUXNLUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-13(2)11-21-19(24)14-4-3-5-16(10-14)22-18(23)12-25-17-8-6-15(20)7-9-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide?
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 376.91 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 2194290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).