methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate

C16H17NO5S2 — CID 41145970

IUPACmethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2sccc2C(=O)OC)cc1
InChIInChI=1S/C16H17NO5S2/c1-3-24(20,21)12-6-4-11(5-7-12)10-14(18)17-15-13(8-9-23-15)16(19)22-2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyHAVKKEREZNFLHW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.51
Rot. Bonds6

About methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 41145970) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate
PubChem CID41145970
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC Namemethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2sccc2C(=O)OC)cc1
InChIInChI=1S/C16H17NO5S2/c1-3-24(20,21)12-6-4-11(5-7-12)10-14(18)17-15-13(8-9-23-15)16(19)22-2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyHAVKKEREZNFLHW-UHFFFAOYSA-N
XLogP2.51
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 17144313
methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate
CID 7544880
methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
CID 41273904
methyl 2-(propylcarbamothioylamino)thiophene-3-carboxylate
CID 22966909
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
CID 55812102
methyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808764
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
methyl 2-[(4-hydroxyphenyl)methylcarbamoylamino]thiophene-3-carboxylate
CID 142886729
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41145905
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049
2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide
CID 18586190
methyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808735

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate (CID 41145970) is methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate is CCS(=O)(=O)c1ccc(CC(=O)Nc2sccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is HAVKKEREZNFLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S2/c1-3-24(20,21)12-6-4-11(5-7-12)10-14(18)17-15-13(8-9-23-15)16(19)22-2/h4-9H,3,10H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 41145970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).