2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

C19H19N3O4S2 — CID 4597948

IUPAC2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc2c1
InChIInChI=1S/C19H19N3O4S2/c1-12-9-19(22-17-10-14(26-2)5-8-16(12)17)27-11-18(23)21-13-3-6-15(7-4-13)28(20,24)25/h3-10H,11H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyDBLJFQNKBVJTGA-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.93
Rot. Bonds6

About 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 4597948) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID4597948
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc2c1
InChIInChI=1S/C19H19N3O4S2/c1-12-9-19(22-17-10-14(26-2)5-8-16(12)17)27-11-18(23)21-13-3-6-15(7-4-13)28(20,24)25/h3-10H,11H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyDBLJFQNKBVJTGA-UHFFFAOYSA-N
XLogP2.93
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3637014
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46367250
N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367204
N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 2546662
sodium;4-[[2-[4-(difluoromethyl)-7-methoxyquinolin-2-yl]sulfanylacetyl]amino]benzoate;fluoromethane
CID 16644549
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2536154
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 16538798
ethyl 2-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1034114
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 46367251
N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 5126350
N-(4-ethoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367129

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 4597948) is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is COc1ccc2c(C)cc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is DBLJFQNKBVJTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-12-9-19(22-17-10-14(26-2)5-8-16(12)17)27-11-18(23)21-13-3-6-15(7-4-13)28(20,24)25/h3-10H,11H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4597948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).