ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate

C19H23NO6S2 — CID 41273808

IUPACethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C19H23NO6S2/c1-4-26-19(22)18-13(2)12-17(27-18)20-16(21)6-5-11-28(23,24)15-9-7-14(25-3)8-10-15/h7-10,12H,4-6,11H2,1-3H3,(H,20,21)
InChIKeyZVCLRZWRSBFZSU-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.43
Rot. Bonds9

About ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate

ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate (PubChem CID 41273808) has the molecular formula C19H23NO6S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate
PubChem CID41273808
Molecular FormulaC19H23NO6S2
Molecular Weight425.53 g/mol
Exact Mass425.10
IUPAC Nameethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C19H23NO6S2/c1-4-26-19(22)18-13(2)12-17(27-18)20-16(21)6-5-11-28(23,24)15-9-7-14(25-3)8-10-15/h7-10,12H,4-6,11H2,1-3H3,(H,20,21)
InChIKeyZVCLRZWRSBFZSU-UHFFFAOYSA-N
XLogP3.43
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(hexanoylamino)-3-methylthiophene-2-carboxylate
CID 43403931
ethyl 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 41320597
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
ethyl 5-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-3-methylthiophene-2-carboxylate
CID 55755833
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[(2-bromo-5-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 51146239
methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
CID 41273904
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30733791
ethyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 41323784
ethyl 5-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 8582351
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate (CID 41273808) is ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(OC)cc2)cc1C.
What is the InChIKey of ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate?
The InChIKey is ZVCLRZWRSBFZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S2/c1-4-26-19(22)18-13(2)12-17(27-18)20-16(21)6-5-11-28(23,24)15-9-7-14(25-3)8-10-15/h7-10,12H,4-6,11H2,1-3H3,(H,20,21).
What are the key properties of ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate?
ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 41273808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).