N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide

C20H27N3O3S — CID 46546290

IUPACN-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-15(2)5-4-6-16(3)22-20(24)17-7-9-19(10-8-17)27(25,26)23-18-11-13-21-14-12-18/h7-16H,4-6H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyFOPBVUSNRANYCM-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.83
Rot. Bonds9

About N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide

N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide (PubChem CID 46546290) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
PubChem CID46546290
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-15(2)5-4-6-16(3)22-20(24)17-7-9-19(10-8-17)27(25,26)23-18-11-13-21-14-12-18/h7-16H,4-6H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyFOPBVUSNRANYCM-UHFFFAOYSA-N
XLogP3.83
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46515976
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 55616707
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 86917372
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The IUPAC name of N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide (CID 46546290) is N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide is CC(C)CCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The InChIKey is FOPBVUSNRANYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)5-4-6-16(3)22-20(24)17-7-9-19(10-8-17)27(25,26)23-18-11-13-21-14-12-18/h7-16H,4-6H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide has a molecular weight of 389.52 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 46546290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).