N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide

C19H29N3O3S — CID 7551410

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCC2)c1
InChIInChI=1S/C19H29N3O3S/c1-3-22(4-2)26(24,25)16-10-11-18(21-12-5-6-13-21)17(14-16)20-19(23)15-8-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3,(H,20,23)
InChIKeyWWIHFBKOTWGXGU-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.06
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide (PubChem CID 7551410) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
PubChem CID7551410
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCC2)c1
InChIInChI=1S/C19H29N3O3S/c1-3-22(4-2)26(24,25)16-10-11-18(21-12-5-6-13-21)17(14-16)20-19(23)15-8-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3,(H,20,23)
InChIKeyWWIHFBKOTWGXGU-UHFFFAOYSA-N
XLogP3.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43053446
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 41305949
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
CID 17422008
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide (CID 7551410) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCC2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide?
The InChIKey is WWIHFBKOTWGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-3-22(4-2)26(24,25)16-10-11-18(21-12-5-6-13-21)17(14-16)20-19(23)15-8-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide has a molecular weight of 379.53 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 7551410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).