methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate

C16H16N2O5S2 — CID 8842372

IUPACmethyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C
InChIInChI=1S/C16H16N2O5S2/c1-9-7-14(24-15(9)16(20)23-2)18-25(21,22)11-4-5-12-10(8-11)3-6-13(19)17-12/h4-5,7-8,18H,3,6H2,1-2H3,(H,17,19)
InChIKeyXDVOPCCYYFCMRH-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.53
Rot. Bonds4

About methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate

methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 8842372) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
PubChem CID8842372
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Namemethyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C
InChIInChI=1S/C16H16N2O5S2/c1-9-7-14(24-15(9)16(20)23-2)18-25(21,22)11-4-5-12-10(8-11)3-6-13(19)17-12/h4-5,7-8,18H,3,6H2,1-2H3,(H,17,19)
InChIKeyXDVOPCCYYFCMRH-UHFFFAOYSA-N
XLogP2.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842360
methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 8842307
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 56643198
methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842336
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7993271
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
N-(2,6-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927828
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
N-(3,5-dimethoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927827
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 8842276

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate (CID 8842372) is methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C.
What is the InChIKey of methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is XDVOPCCYYFCMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-9-7-14(24-15(9)16(20)23-2)18-25(21,22)11-4-5-12-10(8-11)3-6-13(19)17-12/h4-5,7-8,18H,3,6H2,1-2H3,(H,17,19).
What are the key properties of methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 8842372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).