benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate

C25H32N2O5S — CID 55700199

IUPACbenzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate
SMILESCS(=O)(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H32N2O5S/c1-33(30,31)17-14-22(27-24(29)32-18-20-10-4-2-5-11-20)23(28)26-19-25(15-8-9-16-25)21-12-6-3-7-13-21/h2-7,10-13,22H,8-9,14-19H2,1H3,(H,26,28)(H,27,29)
InChIKeyIKKKLMOQTIREEG-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.34
Rot. Bonds10

About benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate

benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate (PubChem CID 55700199) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate
PubChem CID55700199
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Namebenzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate
SMILESCS(=O)(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C25H32N2O5S/c1-33(30,31)17-14-22(27-24(29)32-18-20-10-4-2-5-11-20)23(28)26-19-25(15-8-9-16-25)21-12-6-3-7-13-21/h2-7,10-13,22H,8-9,14-19H2,1H3,(H,26,28)(H,27,29)
InChIKeyIKKKLMOQTIREEG-UHFFFAOYSA-N
XLogP3.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-[(3-methyl-2-phenylbutyl)amino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 55850207
benzyl N-[1-[[4-(2-methylpropanoylamino)phenyl]methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 55794362
benzyl N-[1-[(2,4-dichlorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 55786621
benzyl N-[1-[4-(azepan-1-yl)anilino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 55791663
benzyl N-[4-methylsulfonyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate
CID 55787359
benzyl N-[(3S)-5-methyl-1-methylsulfonylhexan-3-yl]carbamate
CID 70795374
benzyl N-[1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 55913891
benzyl N-[1-(3-ethylpiperidin-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 55932786
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate?
The IUPAC name of benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate (CID 55700199) is benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate?
The canonical SMILES for benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate is CS(=O)(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate?
The InChIKey is IKKKLMOQTIREEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-33(30,31)17-14-22(27-24(29)32-18-20-10-4-2-5-11-20)23(28)26-19-25(15-8-9-16-25)21-12-6-3-7-13-21/h2-7,10-13,22H,8-9,14-19H2,1H3,(H,26,28)(H,27,29).
What are the key properties of benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate?
benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate has a molecular weight of 472.61 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate is sourced from PubChem (CID 55700199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).