methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate

C17H19NO6S2 — CID 41273904

IUPACmethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO6S2/c1-23-12-5-7-13(8-6-12)26(21,22)11-3-4-15(19)18-16-14(9-10-25-16)17(20)24-2/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyGOEFXQFCHLCFIO-UHFFFAOYSA-N
MW397.47 g/mol
LogP2.74
Rot. Bonds8

About methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate

methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate (PubChem CID 41273904) has the molecular formula C17H19NO6S2 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
PubChem CID41273904
Molecular FormulaC17H19NO6S2
Molecular Weight397.47 g/mol
Exact Mass397.07
IUPAC Namemethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO6S2/c1-23-12-5-7-13(8-6-12)26(21,22)11-3-4-15(19)18-16-14(9-10-25-16)17(20)24-2/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyGOEFXQFCHLCFIO-UHFFFAOYSA-N
XLogP2.74
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 41145970
2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide
CID 18586190
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate
CID 7544880
4-(4-methoxyphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 41273921
ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate
CID 41273808
4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide
CID 41087352
N-(3-cyanothiophen-2-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 18585830
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273735
1-butylsulfonyl-4-methoxybenzene
CID 12696371
methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 41274567

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate (CID 41273904) is methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate?
The InChIKey is GOEFXQFCHLCFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S2/c1-23-12-5-7-13(8-6-12)26(21,22)11-3-4-15(19)18-16-14(9-10-25-16)17(20)24-2/h5-10H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate?
methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 41273904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).