2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide

C19H23N3O4S — CID 53282974

IUPAC2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCCC(C(=O)Nc1cccc(C(N)=O)c1C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-4-17(22(27(3,25)26)14-9-6-5-7-10-14)19(24)21-16-12-8-11-15(13(16)2)18(20)23/h5-12,17H,4H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyUTISSDJCODFLKZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.28
Rot. Bonds7

About 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide

2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide (PubChem CID 53282974) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide
PubChem CID53282974
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCCC(C(=O)Nc1cccc(C(N)=O)c1C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-4-17(22(27(3,25)26)14-9-6-5-7-10-14)19(24)21-16-12-8-11-15(13(16)2)18(20)23/h5-12,17H,4H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyUTISSDJCODFLKZ-UHFFFAOYSA-N
XLogP2.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-3-[2-(3-methyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132669534
ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate
CID 132674389
methyl 3-[2-(4-ethoxy-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate
CID 132674395
2-(N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53282937
N-(2-bromophenyl)-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 132667710
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
CID 132667575
N-(2-methyl-3-nitrophenyl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132670706
2-[2-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propylbenzamide
CID 132673565
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylbenzamide
CID 61180394
2-(N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133219233
ethyl 2-chloro-4-[[(2R)-2-(N-methylsulfonylanilino)butanoyl]amino]benzoate
CID 93488458
(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30390281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide?
The IUPAC name of 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide (CID 53282974) is 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide.
What is the SMILES notation for 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide?
The canonical SMILES for 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide is CCC(C(=O)Nc1cccc(C(N)=O)c1C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide?
The InChIKey is UTISSDJCODFLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-17(22(27(3,25)26)14-9-6-5-7-10-14)19(24)21-16-12-8-11-15(13(16)2)18(20)23/h5-12,17H,4H2,1-3H3,(H2,20,23)(H,21,24).
What are the key properties of 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide?
2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(N-methylsulfonylanilino)butanoylamino]benzamide is sourced from PubChem (CID 53282974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).