2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide

C20H24N2O2S — CID 2197815

IUPAC2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)21-20(24)17-6-4-5-7-18(17)22-19(23)12-13-25-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyWGHRKSXGHLFPPR-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.25
Rot. Bonds7

About 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide

2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide (PubChem CID 2197815) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide
PubChem CID2197815
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)21-20(24)17-6-4-5-7-18(17)22-19(23)12-13-25-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyWGHRKSXGHLFPPR-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 307712
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
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2-amino-N-[2-[[1-methyl-4-[(4-methylsulfanylphenyl)methylamino]piperidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
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2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one
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N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 10858497
3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922
N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-2-thiophenecarboxamide
CID 4204024
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 2209610
2-[(methylsulfonyl)amino]-N-[2-(phenylthio)ethyl]benzamide
CID 2234045

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide (CID 2197815) is 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide is Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is WGHRKSXGHLFPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14(2)21-20(24)17-6-4-5-7-18(17)22-19(23)12-13-25-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide?
2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 2197815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).