N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide

C20H25N3O3S — CID 17391075

IUPACN-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C20H25N3O3S/c1-13-17(14(2)26-23-13)11-27-12-19(24)22-18-10-6-5-9-16(18)20(25)21-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVAJYMFUACHFSLL-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.84
Rot. Bonds7

About N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide (PubChem CID 17391075) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide
PubChem CID17391075
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C20H25N3O3S/c1-13-17(14(2)26-23-13)11-27-12-19(24)22-18-10-6-5-9-16(18)20(25)21-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVAJYMFUACHFSLL-UHFFFAOYSA-N
XLogP3.84
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013876
N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18168523
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931
N-cyclopropyl-2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 8023741
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
N-cyclohexyl-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2928177
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78862474
N-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 43062564
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 86980040
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide (CID 17391075) is N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide is Cc1noc(C)c1CSCC(=O)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is VAJYMFUACHFSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13-17(14(2)26-23-13)11-27-12-19(24)22-18-10-6-5-9-16(18)20(25)21-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 387.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 17391075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).