4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide

C16H26N2O3S — CID 86917372

IUPAC4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(C)CCC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-17-22(20,21)15-10-8-14(9-11-15)16(19)18-13(4)7-6-12(2)3/h8-13,17H,5-7H2,1-4H3,(H,18,19)
InChIKeyHPWIHJRKWXWDKR-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.54
Rot. Bonds8

About 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide

4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide (PubChem CID 86917372) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
PubChem CID86917372
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(C)CCC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-17-22(20,21)15-10-8-14(9-11-15)16(19)18-13(4)7-6-12(2)3/h8-13,17H,5-7H2,1-4H3,(H,18,19)
InChIKeyHPWIHJRKWXWDKR-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119364417
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide
CID 55861005
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
CID 9220040
4-(ethylsulfamoyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 86830095
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
4-(4-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 43372353
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
1-[[4-(ethylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477966
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide (CID 86917372) is 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)NC(C)CCC(C)C)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide?
The InChIKey is HPWIHJRKWXWDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-17-22(20,21)15-10-8-14(9-11-15)16(19)18-13(4)7-6-12(2)3/h8-13,17H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide?
4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide has a molecular weight of 326.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide is sourced from PubChem (CID 86917372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).