ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate

C14H15NO4S2 — CID 2989771

IUPACethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NO4S2/c1-3-19-14(16)11-6-8-12(9-7-11)15(2)21(17,18)13-5-4-10-20-13/h4-10H,3H2,1-2H3
InChIKeyJPCBGBKSTSKBCH-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.75
Rot. Bonds5

About ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate

ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate (PubChem CID 2989771) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
PubChem CID2989771
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Nameethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NO4S2/c1-3-19-14(16)11-6-8-12(9-7-11)15(2)21(17,18)13-5-4-10-20-13/h4-10H,3H2,1-2H3
InChIKeyJPCBGBKSTSKBCH-UHFFFAOYSA-N
XLogP2.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551805
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate
CID 2381426
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
CID 2992743
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
methyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551743
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
(2-amino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 8820335
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate?
The IUPAC name of ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate (CID 2989771) is ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate is CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate?
The InChIKey is JPCBGBKSTSKBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-3-19-14(16)11-6-8-12(9-7-11)15(2)21(17,18)13-5-4-10-20-13/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate?
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate has a molecular weight of 325.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate is sourced from PubChem (CID 2989771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).