benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate

C20H24N2O4S — CID 162415610

IUPACbenzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-7-9-19(10-8-16)27(24,25)22-13-11-18(12-14-22)21-20(23)26-15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23)
InChIKeySMHJLJJFQDVMNF-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.07
Rot. Bonds5

About benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate

benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate (PubChem CID 162415610) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
PubChem CID162415610
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Namebenzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-7-9-19(10-8-16)27(24,25)22-13-11-18(12-14-22)21-20(23)26-15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23)
InChIKeySMHJLJJFQDVMNF-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-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-[2-(4-methylphenyl)sulfonyl-2-azaspiro[3.3]heptan-6-yl]carbamate
CID 129319543
benzyl 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanoate
CID 166448326
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[1-[4-(prop-2-enoylamino)phenyl]sulfonylpyrrolidin-3-yl]carbamate
CID 67192617
2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 120984521
benzyl N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]carbamate
CID 50906329
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699508
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
1-(4-methylphenyl)sulfonyl-4-(3-phenylmethoxypropyl)piperidine
CID 162402953
benzyl 2-[1-(4-aminophenyl)sulfonylpiperidin-4-yl]acetate
CID 153039724

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate (CID 162415610) is benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1.
What is the InChIKey of benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The InChIKey is SMHJLJJFQDVMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-7-9-19(10-8-16)27(24,25)22-13-11-18(12-14-22)21-20(23)26-15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23).
What are the key properties of benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate has a molecular weight of 388.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate is sourced from PubChem (CID 162415610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).