3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide

C20H26N2O3S — CID 30686518

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)10-11-21-20(23)17-6-5-7-18(13-17)22-26(24,25)19-12-15(3)8-9-16(19)4/h5-9,12-14,22H,10-11H2,1-4H3,(H,21,23)
InChIKeyUFIOBVUDDCJCEZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.88
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide (PubChem CID 30686518) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
PubChem CID30686518
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCC(C)C)c2)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)10-11-21-20(23)17-6-5-7-18(13-17)22-26(24,25)19-12-15(3)8-9-16(19)4/h5-9,12-14,22H,10-11H2,1-4H3,(H,21,23)
InChIKeyUFIOBVUDDCJCEZ-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-hydroxy-2-methylbutyl]benzamide
CID 95783231
3-[[[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]methyl]-N-methylbenzamide
CID 32914434
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
3-[(2,5-dimethylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848651
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065341
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31265126

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide (CID 30686518) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCC(C)C)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide?
The InChIKey is UFIOBVUDDCJCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)10-11-21-20(23)17-6-5-7-18(13-17)22-26(24,25)19-12-15(3)8-9-16(19)4/h5-9,12-14,22H,10-11H2,1-4H3,(H,21,23).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 30686518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).