2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide

C23H28N2O2S — CID 7276350

IUPAC2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
SMILESC[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H28N2O2S/c1-17(28-16-18-10-4-2-5-11-18)22(26)25-21-15-9-8-14-20(21)23(27)24-19-12-6-3-7-13-19/h2,4-5,8-11,14-15,17,19H,3,6-7,12-13,16H2,1H3,(H,24,27)(H,25,26)/t17-/m0/s1
InChIKeyMQPGZTQJCFSVRX-KRWDZBQOSA-N
MW396.56 g/mol
LogP5.01
Rot. Bonds7

About 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide

2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide (PubChem CID 7276350) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
PubChem CID7276350
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
SMILESC[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H28N2O2S/c1-17(28-16-18-10-4-2-5-11-18)22(26)25-21-15-9-8-14-20(21)23(27)24-19-12-6-3-7-13-19/h2,4-5,8-11,14-15,17,19H,3,6-7,12-13,16H2,1H3,(H,24,27)(H,25,26)/t17-/m0/s1
InChIKeyMQPGZTQJCFSVRX-KRWDZBQOSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
CID 55778353
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2211958
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide (CID 7276350) is 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide is C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide?
The InChIKey is MQPGZTQJCFSVRX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-17(28-16-18-10-4-2-5-11-18)22(26)25-21-15-9-8-14-20(21)23(27)24-19-12-6-3-7-13-19/h2,4-5,8-11,14-15,17,19H,3,6-7,12-13,16H2,1H3,(H,24,27)(H,25,26)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide?
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide has a molecular weight of 396.56 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 7276350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).