(3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide

C19H22N2O3S — CID 52523014

IUPAC(3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-8-13(2)18(14(3)9-12)25(23,24)21-11-16(19(20)22)10-15-6-4-5-7-17(15)21/h4-9,16H,10-11H2,1-3H3,(H2,20,22)/t16-/m1/s1
InChIKeyPACUSQRWQVWVOO-MRXNPFEDSA-N
MW358.46 g/mol
LogP2.46
Rot. Bonds3

About (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide

(3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide (PubChem CID 52523014) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
PubChem CID52523014
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-8-13(2)18(14(3)9-12)25(23,24)21-11-16(19(20)22)10-15-6-4-5-7-17(15)21/h4-9,16H,10-11H2,1-3H3,(H2,20,22)/t16-/m1/s1
InChIKeyPACUSQRWQVWVOO-MRXNPFEDSA-N
XLogP2.46
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The IUPAC name of (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide (CID 52523014) is (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The canonical SMILES for (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide is Cc1cc(C)c(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c(C)c1.
What is the InChIKey of (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The InChIKey is PACUSQRWQVWVOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-8-13(2)18(14(3)9-12)25(23,24)21-11-16(19(20)22)10-15-6-4-5-7-17(15)21/h4-9,16H,10-11H2,1-3H3,(H2,20,22)/t16-/m1/s1.
What are the key properties of (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide?
(3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 52523014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).