N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide

C20H22N2O2S — CID 26110887

IUPACN-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-13-6-10-18(11-7-13)25-14(2)19(23)22-17-5-3-4-15(12-17)20(24)21-16-8-9-16/h3-7,10-12,14,16H,8-9H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyDVDRRUUUWMHPKG-AWEZNQCLSA-N
MW354.48 g/mol
LogP4.01
Rot. Bonds6

About N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide

N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide (PubChem CID 26110887) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
PubChem CID26110887
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-13-6-10-18(11-7-13)25-14(2)19(23)22-17-5-3-4-15(12-17)20(24)21-16-8-9-16/h3-7,10-12,14,16H,8-9H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyDVDRRUUUWMHPKG-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

N-cyclopropyl-3-[2-(4-methylphenyl)sulfanylpropanoylamino]benzamide
CID 42894673
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
3-methyl-N-[3-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18906716
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
N-cyclopropyl-3-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzamide
CID 55792744
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide (CID 26110887) is N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide is Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is DVDRRUUUWMHPKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13-6-10-18(11-7-13)25-14(2)19(23)22-17-5-3-4-15(12-17)20(24)21-16-8-9-16/h3-7,10-12,14,16H,8-9H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide?
N-cyclopropyl-3-[[(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-3-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 26110887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).