2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide

C32H26N2O4S — CID 3660329

IUPAC2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1sc(C(=O)Nc2ccccc2OC)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H26N2O4S/c1-37-25-19-11-9-17-23(25)33-31(35)29-27(21-13-5-3-6-14-21)28(22-15-7-4-8-16-22)30(39-29)32(36)34-24-18-10-12-20-26(24)38-2/h3-20H,1-2H3,(H,33,35)(H,34,36)
InChIKeyYBGOESWXVGQWFX-UHFFFAOYSA-N
MW534.64 g/mol
LogP7.60
Rot. Bonds8

About 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide

2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide (PubChem CID 3660329) has the molecular formula C32H26N2O4S and a molecular weight of 534.64 g/mol. Its IUPAC name is 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
PubChem CID3660329
Molecular FormulaC32H26N2O4S
Molecular Weight534.64 g/mol
Exact Mass534.16
IUPAC Name2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1sc(C(=O)Nc2ccccc2OC)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H26N2O4S/c1-37-25-19-11-9-17-23(25)33-31(35)29-27(21-13-5-3-6-14-21)28(22-15-7-4-8-16-22)30(39-29)32(36)34-24-18-10-12-20-26(24)38-2/h3-20H,1-2H3,(H,33,35)(H,34,36)
InChIKeyYBGOESWXVGQWFX-UHFFFAOYSA-N
XLogP7.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650217
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002042
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
3-formyl-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 102081930
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666433
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide (CID 3660329) is 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide is COc1ccccc1NC(=O)c1sc(C(=O)Nc2ccccc2OC)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide?
The InChIKey is YBGOESWXVGQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O4S/c1-37-25-19-11-9-17-23(25)33-31(35)29-27(21-13-5-3-6-14-21)28(22-15-7-4-8-16-22)30(39-29)32(36)34-24-18-10-12-20-26(24)38-2/h3-20H,1-2H3,(H,33,35)(H,34,36).
What are the key properties of 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide?
2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide has a molecular weight of 534.64 g/mol, XLogP of 7.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide is sourced from PubChem (CID 3660329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).