2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide

C22H26N2O3S — CID 3275959

IUPAC2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C22H26N2O3S/c1-16(25)23-21(22(26)24-17-7-5-6-8-17)15-28-20-13-11-19(12-14-20)27-18-9-3-2-4-10-18/h2-4,9-14,17,21H,5-8,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyCLMHJKRCDQVAGB-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.13
Rot. Bonds8

About 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide

2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide (PubChem CID 3275959) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
PubChem CID3275959
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C22H26N2O3S/c1-16(25)23-21(22(26)24-17-7-5-6-8-17)15-28-20-13-11-19(12-14-20)27-18-9-3-2-4-10-18/h2-4,9-14,17,21H,5-8,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyCLMHJKRCDQVAGB-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 5187487
N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 3558958
N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4240193
N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 3318101
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 3917706
N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide
CID 111113203
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7985171
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide (CID 3275959) is 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide is CC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCCC1.
What is the InChIKey of 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide?
The InChIKey is CLMHJKRCDQVAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-16(25)23-21(22(26)24-17-7-5-6-8-17)15-28-20-13-11-19(12-14-20)27-18-9-3-2-4-10-18/h2-4,9-14,17,21H,5-8,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide?
2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide has a molecular weight of 398.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 3275959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).