N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide

C19H23N3O4S — CID 22564745

IUPACN-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C19H23N3O4S/c1-3-4-12-20-18(23)15-9-7-10-16(13-15)21-19(24)22-27(25,26)17-11-6-5-8-14(17)2/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyXXDFMGXAXSIYMG-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.04
Rot. Bonds7

About N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide

N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide (PubChem CID 22564745) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
PubChem CID22564745
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C19H23N3O4S/c1-3-4-12-20-18(23)15-9-7-10-16(13-15)21-19(24)22-27(25,26)17-11-6-5-8-14(17)2/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyXXDFMGXAXSIYMG-UHFFFAOYSA-N
XLogP3.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
CID 22564924
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834115
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
CID 17196916
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide?
The IUPAC name of N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide (CID 22564745) is N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide.
What is the SMILES notation for N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide?
The canonical SMILES for N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide is CCCCNC(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2C)c1.
What is the InChIKey of N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide?
The InChIKey is XXDFMGXAXSIYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-4-12-20-18(23)15-9-7-10-16(13-15)21-19(24)22-27(25,26)17-11-6-5-8-14(17)2/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide?
N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide has a molecular weight of 389.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide is sourced from PubChem (CID 22564745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).