6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide

C22H20N4O4S2 — CID 24586544

IUPAC6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)ccc2c1
InChIInChI=1S/C22H20N4O4S2/c1-26(32(3,28)29)16-7-4-14(5-8-16)20-13-31-22(24-20)25-21(27)19-10-6-15-12-17(30-2)9-11-18(15)23-19/h4-13H,1-3H3,(H,24,25,27)
InChIKeyMXEYQJWKIBPGIE-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.01
Rot. Bonds6

About 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide

6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide (PubChem CID 24586544) has the molecular formula C22H20N4O4S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
PubChem CID24586544
Molecular FormulaC22H20N4O4S2
Molecular Weight468.56 g/mol
Exact Mass468.09
IUPAC Name6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)ccc2c1
InChIInChI=1S/C22H20N4O4S2/c1-26(32(3,28)29)16-7-4-14(5-8-16)20-13-31-22(24-20)25-21(27)19-10-6-15-12-17(30-2)9-11-18(15)23-19/h4-13H,1-3H3,(H,24,25,27)
InChIKeyMXEYQJWKIBPGIE-UHFFFAOYSA-N
XLogP4.01
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxyquinoline-2-carboxamide
CID 35804340
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 35801722
2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 24563011
methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
CID 17412659
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 9117772
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
CID 9343584

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide (CID 24586544) is 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)ccc2c1.
What is the InChIKey of 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide?
The InChIKey is MXEYQJWKIBPGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S2/c1-26(32(3,28)29)16-7-4-14(5-8-16)20-13-31-22(24-20)25-21(27)19-10-6-15-12-17(30-2)9-11-18(15)23-19/h4-13H,1-3H3,(H,24,25,27).
What are the key properties of 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide?
6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 24586544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).