N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide

C19H23N3O4S — CID 9038896

IUPACN-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-13(2)22-27(25,26)17-9-7-15(8-10-17)19(24)20-12-18(23)21-16-6-4-5-14(3)11-16/h4-11,13,22H,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyRLXBCGVAZBJFCP-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.05
Rot. Bonds7

About N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 9038896) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID9038896
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-13(2)22-27(25,26)17-9-7-15(8-10-17)19(24)20-12-18(23)21-16-6-4-5-14(3)11-16/h4-11,13,22H,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyRLXBCGVAZBJFCP-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide
CID 9219410
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9427293
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635839
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
4-methyl-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 24574857
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 9038896) is N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide is Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c1.
What is the InChIKey of N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is RLXBCGVAZBJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(2)22-27(25,26)17-9-7-15(8-10-17)19(24)20-12-18(23)21-16-6-4-5-14(3)11-16/h4-11,13,22H,12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 9038896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).