N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide

C28H21NO2S — CID 142723863

IUPACN-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(OCc3ccccc3)cc2)c1)c1cc2ccccc2s1
InChIInChI=1S/C28H21NO2S/c30-28(27-18-23-9-4-5-12-26(23)32-27)29-24-11-6-10-22(17-24)21-13-15-25(16-14-21)31-19-20-7-2-1-3-8-20/h1-18H,19H2,(H,29,30)
InChIKeyXZRIHNTYSSCBKK-UHFFFAOYSA-N
MW435.55 g/mol
LogP7.40
Rot. Bonds6

About N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide

N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 142723863) has the molecular formula C28H21NO2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID142723863
Molecular FormulaC28H21NO2S
Molecular Weight435.55 g/mol
Exact Mass435.13
IUPAC NameN-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(OCc3ccccc3)cc2)c1)c1cc2ccccc2s1
InChIInChI=1S/C28H21NO2S/c30-28(27-18-23-9-4-5-12-26(23)32-27)29-24-11-6-10-22(17-24)21-13-15-25(16-14-21)31-19-20-7-2-1-3-8-20/h1-18H,19H2,(H,29,30)
InChIKeyXZRIHNTYSSCBKK-UHFFFAOYSA-N
XLogP7.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-phenylmethoxyphenyl)carbamoyl]-N-sulfanyl-1-benzothiophene-2-carboxamide
CID 87658393
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
CID 19497084
2-[[5-(4-chlorophenyl)-1-benzothiophene-2-carbonyl]amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
CID 59335752
(2S)-2-[[5-(4-chlorophenyl)-1-benzothiophene-2-carbonyl]amino]-3-[4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
CID 68667458
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 42091036
2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
CID 141273620
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
(2S)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-2-[[5-(4-propan-2-yloxyphenyl)-1-benzothiophene-2-carbonyl]amino]propanoic acid
CID 68667367
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide
CID 141273565

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide (CID 142723863) is N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(-c2ccc(OCc3ccccc3)cc2)c1)c1cc2ccccc2s1.
What is the InChIKey of N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is XZRIHNTYSSCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2S/c30-28(27-18-23-9-4-5-12-26(23)32-27)29-24-11-6-10-22(17-24)21-13-15-25(16-14-21)31-19-20-7-2-1-3-8-20/h1-18H,19H2,(H,29,30).
What are the key properties of N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide?
N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylmethoxyphenyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142723863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).