N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide

C24H22N4O2S — CID 4987931

IUPACN-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1
InChIInChI=1S/C24H22N4O2S/c1-15-7-6-8-16(2)22(15)27-20(29)14-31-21-13-18(17-9-4-5-10-19(17)26-21)23(30)24-25-11-12-28(24)3/h4-13H,14H2,1-3H3,(H,27,29)
InChIKeyXBMLCJDMBYXECI-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.55
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide

N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide (PubChem CID 4987931) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
PubChem CID4987931
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1
InChIInChI=1S/C24H22N4O2S/c1-15-7-6-8-16(2)22(15)27-20(29)14-31-21-13-18(17-9-4-5-10-19(17)26-21)23(30)24-25-11-12-28(24)3/h4-13H,14H2,1-3H3,(H,27,29)
InChIKeyXBMLCJDMBYXECI-UHFFFAOYSA-N
XLogP4.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
CID 25232345
N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 66763564
1-methyl-N-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]pyrrole-2-carboxamide
CID 2479167
2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 3954221
N-benzyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
CID 4582563
N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide
CID 5008348
N-(3,5-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
CID 5101226
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide
CID 7151255
N-(4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)quinoline-2-carboxamide
CID 7151300
4-{[2-(Benzylsulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-N-(2-phenylpropyl)benzamide
CID 16021145
N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide
CID 46944084
N-(6-methyl-3-phenylsulfanylpyrido[2,3-b]pyrazin-7-yl)benzamide
CID 137655214

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide (CID 4987931) is N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide is Cc1cccc(C)c1NC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The InChIKey is XBMLCJDMBYXECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-7-6-8-16(2)22(15)27-20(29)14-31-21-13-18(17-9-4-5-10-19(17)26-21)23(30)24-25-11-12-28(24)3/h4-13H,14H2,1-3H3,(H,27,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide has a molecular weight of 430.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4987931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).