1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide

C23H25N3O3S2 — CID 16561897

IUPAC1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)n2)cc1
InChIInChI=1S/C23H25N3O3S2/c1-3-5-16-7-9-17(10-8-16)20-15-30-23(24-20)25-22(27)19-11-12-21-18(14-19)6-4-13-26(21)31(2,28)29/h7-12,14-15H,3-6,13H2,1-2H3,(H,24,25,27)
InChIKeyNCKUBKWWASKOTP-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.73
Rot. Bonds6

About 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 16561897) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID16561897
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC Name1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)n2)cc1
InChIInChI=1S/C23H25N3O3S2/c1-3-5-16-7-9-17(10-8-16)20-15-30-23(24-20)25-22(27)19-11-12-21-18(14-19)6-4-13-26(21)31(2,28)29/h7-12,14-15H,3-6,13H2,1-2H3,(H,24,25,27)
InChIKeyNCKUBKWWASKOTP-UHFFFAOYSA-N
XLogP4.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 16562066
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2501912
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 27039682
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1458463
1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 46548669
1-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78889850
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5106839
N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide
CID 39974919
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,3-diethylquinoxaline-6-carboxamide
CID 1383828
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
1-methylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100801339

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 16561897) is 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide is CCCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)n2)cc1.
What is the InChIKey of 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is NCKUBKWWASKOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-3-5-16-7-9-17(10-8-16)20-15-30-23(24-20)25-22(27)19-11-12-21-18(14-19)6-4-13-26(21)31(2,28)29/h7-12,14-15H,3-6,13H2,1-2H3,(H,24,25,27).
What are the key properties of 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 16561897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).