2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide

C20H23N3O4S — CID 123598137

IUPAC2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccccc2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C20H23N3O4S/c1-20(2)12-17(22-18(24)13-7-5-4-6-8-13)21-16-10-9-14(11-15(16)20)19(25)23-28(3,26)27/h4-11,17,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHHHIZDWVFKXTCR-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.23
Rot. Bonds4

About 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide

2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide (PubChem CID 123598137) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide
PubChem CID123598137
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccccc2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C20H23N3O4S/c1-20(2)12-17(22-18(24)13-7-5-4-6-8-13)21-16-10-9-14(11-15(16)20)19(25)23-28(3,26)27/h4-11,17,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHHHIZDWVFKXTCR-UHFFFAOYSA-N
XLogP2.23
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide (CID 123598137) is 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide is CC1(C)CC(NC(=O)c2ccccc2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21.
What is the InChIKey of 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is HHHIZDWVFKXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-20(2)12-17(22-18(24)13-7-5-4-6-8-13)21-16-10-9-14(11-15(16)20)19(25)23-28(3,26)27/h4-11,17,21H,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide?
2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 123598137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).