N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide

C15H21N3O4S — CID 166236638

IUPACN-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide
SMILESCCC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C15H21N3O4S/c1-2-15(20)9-18(10-15)14(19)16-11-5-7-13(8-6-11)23(21,22)17-12-3-4-12/h5-8,12,17,20H,2-4,9-10H2,1H3,(H,16,19)
InChIKeyKAJWVWMFMNOSBD-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.12
Rot. Bonds5

About N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide

N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide (PubChem CID 166236638) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide
PubChem CID166236638
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide
SMILESCCC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C15H21N3O4S/c1-2-15(20)9-18(10-15)14(19)16-11-5-7-13(8-6-11)23(21,22)17-12-3-4-12/h5-8,12,17,20H,2-4,9-10H2,1H3,(H,16,19)
InChIKeyKAJWVWMFMNOSBD-UHFFFAOYSA-N
XLogP1.12
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085678
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 7216647
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074
N-[4-[[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 67394155

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide?
The IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide (CID 166236638) is N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide?
The canonical SMILES for N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide is CCC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1.
What is the InChIKey of N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide?
The InChIKey is KAJWVWMFMNOSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-2-15(20)9-18(10-15)14(19)16-11-5-7-13(8-6-11)23(21,22)17-12-3-4-12/h5-8,12,17,20H,2-4,9-10H2,1H3,(H,16,19).
What are the key properties of N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide?
N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide is sourced from PubChem (CID 166236638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).