ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate

C23H24N2O5S2 — CID 41044645

IUPACethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-3-25(16-17-8-6-5-7-9-17)32(28,29)19-12-10-18(11-13-19)21(26)24-22-20(14-15-31-22)23(27)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,24,26)
InChIKeyLXSWGMFTIIPUHC-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.39
Rot. Bonds9

About ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate

ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate (PubChem CID 41044645) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
PubChem CID41044645
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Nameethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-3-25(16-17-8-6-5-7-9-17)32(28,29)19-12-10-18(11-13-19)21(26)24-22-20(14-15-31-22)23(27)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,24,26)
InChIKeyLXSWGMFTIIPUHC-UHFFFAOYSA-N
XLogP4.39
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-benzyl-2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5224997
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895
ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-3-(ethoxycarbonylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 5075104
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7166930
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
CID 55812102
4-[benzyl(ethyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 18558936
ethyl 2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 7164073
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16833611
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 25284324
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate (CID 41044645) is ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate?
The InChIKey is LXSWGMFTIIPUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-3-25(16-17-8-6-5-7-9-17)32(28,29)19-12-10-18(11-13-19)21(26)24-22-20(14-15-31-22)23(27)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,24,26).
What are the key properties of ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate?
ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate has a molecular weight of 472.59 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 41044645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).