N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide

C20H22N2O2S — CID 29353062

IUPACN-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C20H22N2O2S/c1-13-7-11-16(12-8-13)25-14(2)19(23)22-18-6-4-3-5-17(18)20(24)21-15-9-10-15/h3-8,11-12,14-15H,9-10H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyAFJFZSXDDVOQSG-AWEZNQCLSA-N
MW354.48 g/mol
LogP4.01
Rot. Bonds6

About N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide

N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide (PubChem CID 29353062) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
PubChem CID29353062
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C20H22N2O2S/c1-13-7-11-16(12-8-13)25-14(2)19(23)22-18-6-4-3-5-17(18)20(24)21-15-9-10-15/h3-8,11-12,14-15H,9-10H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyAFJFZSXDDVOQSG-AWEZNQCLSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625
methyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115619
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 26110887
N-cyclopropyl-3-[2-(4-methylphenyl)sulfanylpropanoylamino]benzamide
CID 42894673
ethyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115639
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806797
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
CID 42030004
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2976562

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide (CID 29353062) is N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide is Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is AFJFZSXDDVOQSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13-7-11-16(12-8-13)25-14(2)19(23)22-18-6-4-3-5-17(18)20(24)21-15-9-10-15/h3-8,11-12,14-15H,9-10H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide?
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide has a molecular weight of 354.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 29353062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).