N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide

C19H28ClN3O3S — CID 146373057

IUPACN-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H28ClN3O3S/c1-19(2,3)21-18(24)22-12-17(13-22)27(25,26)23-10-8-15(9-11-23)14-4-6-16(20)7-5-14/h4-7,15,17H,8-13H2,1-3H3,(H,21,24)
InChIKeySCCYYVJFKHSCMH-UHFFFAOYSA-N
MW413.97 g/mol
LogP3.04
Rot. Bonds3

About N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide

N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide (PubChem CID 146373057) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
PubChem CID146373057
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC NameN-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H28ClN3O3S/c1-19(2,3)21-18(24)22-12-17(13-22)27(25,26)23-10-8-15(9-11-23)14-4-6-16(20)7-5-14/h4-7,15,17H,8-13H2,1-3H3,(H,21,24)
InChIKeySCCYYVJFKHSCMH-UHFFFAOYSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide 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

1-[1-(4-Chlorophenyl)propan-2-yl]-1-methyl-3-(2-methylsulfonylethyl)urea
CID 72130556
3-[3-(4-Chlorophenyl)propyl]-1-methyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136905
1-[3-(4-Chlorophenyl)butan-2-yl]-1-methyl-3-(2-methylsulfonylethyl)urea
CID 71865030
3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
CID 146373143
N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
CID 153452674
(2S,4R)-2-(4-chlorophenyl)-4-(1,1-difluoroethyl)-N-[(E,2S)-4-methylsulfonylbut-3-en-2-yl]piperidine-1-carboxamide
CID 170718653
(2R,4S)-2-(4-chlorophenyl)-4-(1,1-difluoroethyl)-N-[(E,2S)-4-methylsulfonylbut-3-en-2-yl]piperidine-1-carboxamide
CID 170718658
(2R,4S)-2-(4-chlorophenyl)-4-(1,1-difluoroethyl)-N-[(E)-4-methylsulfonylbut-3-en-2-yl]piperidine-1-carboxamide
CID 174202338
(2S,4R)-2-(4-chlorophenyl)-4-(1,1-difluoroethyl)-N-[(E)-4-methylsulfonylbut-3-en-2-yl]piperidine-1-carboxamide
CID 174204210
1-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 145896106
N-tert-butyl-4-[(2-phenylethanesulfonamido)methyl]piperidine-1-carboxamide
CID 49684564
1-(4-Chlorobenzyl)-3-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)urea
CID 49692386

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide (CID 146373057) is N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide is CC(C)(C)NC(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide?
The InChIKey is SCCYYVJFKHSCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c1-19(2,3)21-18(24)22-12-17(13-22)27(25,26)23-10-8-15(9-11-23)14-4-6-16(20)7-5-14/h4-7,15,17H,8-13H2,1-3H3,(H,21,24).
What are the key properties of N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide?
N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide has a molecular weight of 413.97 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide is sourced from PubChem (CID 146373057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).