2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide

C19H28N2O2S — CID 23543157

IUPAC2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)NC(CSCC1CCCC1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H28N2O2S/c1-14-7-9-16(10-8-14)11-20-19(23)18(21-15(2)22)13-24-12-17-5-3-4-6-17/h7-10,17-18H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySBANMBKPHBHMST-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.04
Rot. Bonds8

About 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide

2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 23543157) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID23543157
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)NC(CSCC1CCCC1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H28N2O2S/c1-14-7-9-16(10-8-14)11-20-19(23)18(21-15(2)22)13-24-12-17-5-3-4-6-17/h7-10,17-18H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySBANMBKPHBHMST-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid
CID 107774767
tert-butyl (4R)-4-[[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 54205240
tert-butyl 3-[[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]thiomorpholine-4-carboxylate
CID 21076685
tert-butyl N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(6-phenoxy-3-pyridinyl)methylamino]propan-2-yl]carbamate
CID 58783511
(2R)-3-(cyclohexylmethylsulfanyl)-N-[(4-methoxyphenyl)methyl]-2-(1,3-thiazinan-4-ylmethylamino)propanamide
CID 58783517
(2S)-2-[[(2S)-2-acetamido-3-cyclopentylpropanoyl]amino]-N-[(4-chlorophenyl)methyl]-6-imino-5-oxohexanamide
CID 167001122
(2S)-N-[(2R)-1-(benzylamino)-3-[(4-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]-2-methyl-3-sulfanylpropanamide
CID 87879085
(2R)-2-acetamido-N-benzyl-3-(benzyldisulfanyl)propanamide
CID 102043629
2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 143478398
(2R)-N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(4-phenoxyphenyl)methylamino]propan-2-yl]-2-[2-(oxan-2-yloxy)ethylamino]-3-sulfanylpropanamide
CID 89242105
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
tert-butyl N-[1-[(1-benzylpiperidin-4-yl)methylamino]-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]carbamate
CID 18173426

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide (CID 23543157) is 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide is CC(=O)NC(CSCC1CCCC1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is SBANMBKPHBHMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-7-9-16(10-8-14)11-20-19(23)18(21-15(2)22)13-24-12-17-5-3-4-6-17/h7-10,17-18H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide?
2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 348.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 23543157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).