N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide

C22H28N2O3S2 — CID 40804196

IUPACN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1cccs1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H28N2O3S2/c25-21(24(18-9-4-5-10-18)19-12-14-29(26,27)16-19)15-23-22(20-11-6-13-28-20)17-7-2-1-3-8-17/h1-3,6-8,11,13,18-19,22-23H,4-5,9-10,12,14-16H2/t19-,22-/m1/s1
InChIKeyYAMLXSFUJMOTFM-DENIHFKCSA-N
MW432.61 g/mol
LogP3.39
Rot. Bonds7

About N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide (PubChem CID 40804196) has the molecular formula C22H28N2O3S2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
PubChem CID40804196
Molecular FormulaC22H28N2O3S2
Molecular Weight432.61 g/mol
Exact Mass432.15
IUPAC NameN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1cccs1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H28N2O3S2/c25-21(24(18-9-4-5-10-18)19-12-14-29(26,27)16-19)15-23-22(20-11-6-13-28-20)17-7-2-1-3-8-17/h1-3,6-8,11,13,18-19,22-23H,4-5,9-10,12,14-16H2/t19-,22-/m1/s1
InChIKeyYAMLXSFUJMOTFM-DENIHFKCSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 25362458
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 124737319
2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42913620
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
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-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenylbutanoate
CID 55316357
N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40804184
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95344129
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8863466

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide (CID 40804196) is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide is O=C(CN[C@H](c1ccccc1)c1cccs1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The InChIKey is YAMLXSFUJMOTFM-DENIHFKCSA-N. The full InChI is InChI=1S/C22H28N2O3S2/c25-21(24(18-9-4-5-10-18)19-12-14-29(26,27)16-19)15-23-22(20-11-6-13-28-20)17-7-2-1-3-8-17/h1-3,6-8,11,13,18-19,22-23H,4-5,9-10,12,14-16H2/t19-,22-/m1/s1.
What are the key properties of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide has a molecular weight of 432.61 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 40804196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).