2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide

C19H23N3O4S — CID 1298211

IUPAC2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-13(2)20-18(23)14-9-5-7-11-16(14)21-19(24)15-10-6-8-12-17(15)22(3)27(4,25)26/h5-13H,1-4H3,(H,20,23)(H,21,24)
InChIKeyLHLRBYDKBWJVKL-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.47
Rot. Bonds6

About 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide

2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 1298211) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide
PubChem CID1298211
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-13(2)20-18(23)14-9-5-7-11-16(14)21-19(24)15-10-6-8-12-17(15)22(3)27(4,25)26/h5-13H,1-4H3,(H,20,23)(H,21,24)
InChIKeyLHLRBYDKBWJVKL-UHFFFAOYSA-N
XLogP2.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide (CID 1298211) is 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is LHLRBYDKBWJVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(2)20-18(23)14-9-5-7-11-16(14)21-19(24)15-10-6-8-12-17(15)22(3)27(4,25)26/h5-13H,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide?
2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1298211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).