ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate

C23H23NO6S — CID 2276725

IUPACethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H23NO6S/c1-5-30-23(26)16-13-19(14-9-7-6-8-10-14)31-22(16)24-21(25)15-11-17(27-2)20(29-4)18(12-15)28-3/h6-13H,5H2,1-4H3,(H,24,25)
InChIKeyOYRGQVJWNPHYIQ-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.87
Rot. Bonds8

About ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate

ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate (PubChem CID 2276725) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
PubChem CID2276725
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC Nameethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H23NO6S/c1-5-30-23(26)16-13-19(14-9-7-6-8-10-14)31-22(16)24-21(25)15-11-17(27-2)20(29-4)18(12-15)28-3/h6-13H,5H2,1-4H3,(H,24,25)
InChIKeyOYRGQVJWNPHYIQ-UHFFFAOYSA-N
XLogP4.87
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Flt-3 inhibitor
CID 1048845
N-(3-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}phenyl)thiophene-2-carboxamide
CID 1164619
2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
ethyl 5-acetyl-2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
CID 1181173
2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide
CID 4106590
5-Ethyl-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylic acid
CID 1082731
Methyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}-4-(1-naphthyl)thiophene-3-carboxylate
CID 1748426
5-(Morpholin-4-YL)-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 20855296
Ethyl 2-amino-4-(3,4,5-trimethoxyphenyl)-3-thiophenecarboxylate
CID 299299
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 831009
4-p-Tolyl-2-(3,4,5-trimethoxy-benzoylamino)-thiophene-3-carboxylic acid
CID 1082733
2-[(3,4-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2225147

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate (CID 2276725) is ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is OYRGQVJWNPHYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6S/c1-5-30-23(26)16-13-19(14-9-7-6-8-10-14)31-22(16)24-21(25)15-11-17(27-2)20(29-4)18(12-15)28-3/h6-13H,5H2,1-4H3,(H,24,25).
What are the key properties of ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 441.51 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2276725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).