4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide

C18H23N3O3S — CID 51164261

IUPAC4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC(C)c2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-4-13(2)21-25(23,24)17-7-5-16(6-8-17)18(22)20-14(3)15-9-11-19-12-10-15/h5-14,21H,4H2,1-3H3,(H,20,22)
InChIKeyVLWQTNUFLCPKSI-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.65
Rot. Bonds7

About 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide

4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 51164261) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID51164261
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC(C)c2ccncc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-4-13(2)21-25(23,24)17-7-5-16(6-8-17)18(22)20-14(3)15-9-11-19-12-10-15/h5-14,21H,4H2,1-3H3,(H,20,22)
InChIKeyVLWQTNUFLCPKSI-UHFFFAOYSA-N
XLogP2.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
4-(cyclopropylsulfamoyl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 30332182
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 55616707
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
CID 24542593

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide (CID 51164261) is 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NC(C)c2ccncc2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is VLWQTNUFLCPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-13(2)21-25(23,24)17-7-5-16(6-8-17)18(22)20-14(3)15-9-11-19-12-10-15/h5-14,21H,4H2,1-3H3,(H,20,22).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 51164261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).