2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C23H34N2O3S — CID 95344129

IUPAC2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(CN(Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C23H34N2O3S/c26-23(25(21-11-4-5-12-21)22-13-14-29(27,28)18-22)17-24(16-20-9-6-10-20)15-19-7-2-1-3-8-19/h1-3,7-8,20-22H,4-6,9-18H2/t22-/m0/s1
InChIKeyZKZIHIUTUFRIIK-QFIPXVFZSA-N
MW418.60 g/mol
LogP3.25
Rot. Bonds8

About 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 95344129) has the molecular formula C23H34N2O3S and a molecular weight of 418.60 g/mol. Its IUPAC name is 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID95344129
Molecular FormulaC23H34N2O3S
Molecular Weight418.60 g/mol
Exact Mass418.23
IUPAC Name2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(CN(Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C23H34N2O3S/c26-23(25(21-11-4-5-12-21)22-13-14-29(27,28)18-22)17-24(16-20-9-6-10-20)15-19-7-2-1-3-8-19/h1-3,7-8,20-22H,4-6,9-18H2/t22-/m0/s1
InChIKeyZKZIHIUTUFRIIK-QFIPXVFZSA-N
XLogP3.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
2-[benzhydryl(methyl)amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42913620
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 32663956
2-(2-benzylanilino)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42919595
4-[[[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125157
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-benzylbenzoate
CID 41306041
[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-phenylacetate
CID 7697884
N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide
CID 78871349
2-[benzyl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409905
2-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41290721
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41131813
2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60523416

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 95344129) is 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(CN(Cc1ccccc1)CC1CCC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is ZKZIHIUTUFRIIK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H34N2O3S/c26-23(25(21-11-4-5-12-21)22-13-14-29(27,28)18-22)17-24(16-20-9-6-10-20)15-19-7-2-1-3-8-19/h1-3,7-8,20-22H,4-6,9-18H2/t22-/m0/s1.
What are the key properties of 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 418.60 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclobutylmethyl)amino]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 95344129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).