N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide

C15H19N3O4S — CID 90513573

IUPACN-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1
InChIInChI=1S/C15H19N3O4S/c1-10(19)16-12-2-4-13(5-3-12)17-15(20)11-8-18(9-11)23(21,22)14-6-7-14/h2-5,11,14H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyPFJYUZCPLKFWDK-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.01
Rot. Bonds5

About N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide

N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide (PubChem CID 90513573) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
PubChem CID90513573
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1
InChIInChI=1S/C15H19N3O4S/c1-10(19)16-12-2-4-13(5-3-12)17-15(20)11-8-18(9-11)23(21,22)14-6-7-14/h2-5,11,14H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyPFJYUZCPLKFWDK-UHFFFAOYSA-N
XLogP1.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513431
1-cyclopropylsulfonyl-N-(4-methylsulfanylphenyl)azetidine-3-carboxamide
CID 90513272
1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
CID 90513450
1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide
CID 71785615
N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513463
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 90513233
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
N-(4-cyanophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513246
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide (CID 90513573) is N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide?
The InChIKey is PFJYUZCPLKFWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10(19)16-12-2-4-13(5-3-12)17-15(20)11-8-18(9-11)23(21,22)14-6-7-14/h2-5,11,14H,6-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide?
N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).