N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

C19H26N2O3S2 — CID 46515976

IUPACN-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H26N2O3S2/c1-14(2)6-4-7-15(3)20-19(22)16-9-11-17(12-10-16)21-26(23,24)18-8-5-13-25-18/h5,8-15,21H,4,6-7H2,1-3H3,(H,20,22)
InChIKeyFKJYGPVFJYOMMT-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.49
Rot. Bonds9

About N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 46515976) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID46515976
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC NameN-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H26N2O3S2/c1-14(2)6-4-7-15(3)20-19(22)16-9-11-17(12-10-16)21-26(23,24)18-8-5-13-25-18/h5,8-15,21H,4,6-7H2,1-3H3,(H,20,22)
InChIKeyFKJYGPVFJYOMMT-UHFFFAOYSA-N
XLogP4.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 33026888
N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 46546290
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 92674510
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41248781
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 132672589
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24560165
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 46515976) is N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is CC(C)CCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is FKJYGPVFJYOMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-14(2)6-4-7-15(3)20-19(22)16-9-11-17(12-10-16)21-26(23,24)18-8-5-13-25-18/h5,8-15,21H,4,6-7H2,1-3H3,(H,20,22).
What are the key properties of N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 394.56 g/mol, XLogP of 4.49, 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-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46515976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).