(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C21H22N2O3S — CID 37400112

IUPAC(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(SC2CCCC2)cc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H22N2O3S/c1-14(23-18-8-4-5-9-19(18)26-21(23)25)20(24)22-15-10-12-17(13-11-15)27-16-6-2-3-7-16/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyPMQBGGAZSVYBCB-AWEZNQCLSA-N
MW382.49 g/mol
LogP4.83
Rot. Bonds5

About (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 37400112) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID37400112
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(SC2CCCC2)cc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H22N2O3S/c1-14(23-18-8-4-5-9-19(18)26-21(23)25)20(24)22-15-10-12-17(13-11-15)27-16-6-2-3-7-16/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyPMQBGGAZSVYBCB-AWEZNQCLSA-N
XLogP4.83
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
N-[4-(cyanomethyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611025
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
methyl 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 24608479
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide
CID 55947366
N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
CID 55965539
[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 95173634
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 24608968
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 26124939

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 37400112) is (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is C[C@@H](C(=O)Nc1ccc(SC2CCCC2)cc1)n1c(=O)oc2ccccc21.
What is the InChIKey of (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is PMQBGGAZSVYBCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14(23-18-8-4-5-9-19(18)26-21(23)25)20(24)22-15-10-12-17(13-11-15)27-16-6-2-3-7-16/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 37400112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).