N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide

C25H32N2O3S — CID 25362458

IUPACN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1
InChIInChI=1S/C25H32N2O3S/c1-19-11-13-21(14-12-19)25(20-7-3-2-4-8-20)26-17-24(28)27(22-9-5-6-10-22)23-15-16-31(29,30)18-23/h2-4,7-8,11-14,22-23,25-26H,5-6,9-10,15-18H2,1H3/t23-,25+/m0/s1
InChIKeyHCFZGPZUQGNCMC-UKILVPOCSA-N
MW440.61 g/mol
LogP3.63
Rot. Bonds7

About N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide (PubChem CID 25362458) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
PubChem CID25362458
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1
InChIInChI=1S/C25H32N2O3S/c1-19-11-13-21(14-12-19)25(20-7-3-2-4-8-20)26-17-24(28)27(22-9-5-6-10-22)23-15-16-31(29,30)18-23/h2-4,7-8,11-14,22-23,25-26H,5-6,9-10,15-18H2,1H3/t23-,25+/m0/s1
InChIKeyHCFZGPZUQGNCMC-UKILVPOCSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 40804196
2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42913620
N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40804184
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-4-methylanilino)acetamide
CID 51248896
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenylbutanoate
CID 55316357
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583286
2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42919595
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640117
2-[(2,2-dimethyl-1-phenylpropyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60568322
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4881744
2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 46824899

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide (CID 25362458) is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide is Cc1ccc([C@H](NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1.
What is the InChIKey of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is HCFZGPZUQGNCMC-UKILVPOCSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-19-11-13-21(14-12-19)25(20-7-3-2-4-8-20)26-17-24(28)27(22-9-5-6-10-22)23-15-16-31(29,30)18-23/h2-4,7-8,11-14,22-23,25-26H,5-6,9-10,15-18H2,1H3/t23-,25+/m0/s1.
What are the key properties of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 440.61 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 25362458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).