ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

C22H28N2O6S2 — CID 42997935

IUPACethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)sc(C)c1C
InChIInChI=1S/C22H28N2O6S2/c1-5-30-22(26)19-13(2)14(3)31-21(19)23-20(25)15-10-11-17(29-4)18(12-15)32(27,28)24-16-8-6-7-9-16/h10-12,16,24H,5-9H2,1-4H3,(H,23,25)
InChIKeyMEDHLQJOABHKJF-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.02
Rot. Bonds8

About ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 42997935) has the molecular formula C22H28N2O6S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID42997935
Molecular FormulaC22H28N2O6S2
Molecular Weight480.61 g/mol
Exact Mass480.14
IUPAC Nameethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)sc(C)c1C
InChIInChI=1S/C22H28N2O6S2/c1-5-30-22(26)19-13(2)14(3)31-21(19)23-20(25)15-10-11-17(29-4)18(12-15)32(27,28)24-16-8-6-7-9-16/h10-12,16,24H,5-9H2,1-4H3,(H,23,25)
InChIKeyMEDHLQJOABHKJF-UHFFFAOYSA-N
XLogP4.02
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119665887
ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 134056648
3-(cyclopropylsulfamoyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 9292477
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 42997935) is ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is MEDHLQJOABHKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S2/c1-5-30-22(26)19-13(2)14(3)31-21(19)23-20(25)15-10-11-17(29-4)18(12-15)32(27,28)24-16-8-6-7-9-16/h10-12,16,24H,5-9H2,1-4H3,(H,23,25).
What are the key properties of ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 480.61 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 42997935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).