N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide

C27H22N2O3S — CID 40888822

IUPACN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nc(-c4ccc(Cc5ccccc5)cc4)cs3)oc12
InChIInChI=1S/C27H22N2O3S/c1-2-31-23-10-6-9-21-16-24(32-25(21)23)26(30)29-27-28-22(17-33-27)20-13-11-19(12-14-20)15-18-7-4-3-5-8-18/h3-14,16-17H,2,15H2,1H3,(H,28,29,30)
InChIKeyWZNDDRLKXJFHOB-UHFFFAOYSA-N
MW454.55 g/mol
LogP6.80
Rot. Bonds7

About N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide

N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide (PubChem CID 40888822) has the molecular formula C27H22N2O3S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
PubChem CID40888822
Molecular FormulaC27H22N2O3S
Molecular Weight454.55 g/mol
Exact Mass454.14
IUPAC NameN-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nc(-c4ccc(Cc5ccccc5)cc4)cs3)oc12
InChIInChI=1S/C27H22N2O3S/c1-2-31-23-10-6-9-21-16-24(32-25(21)23)26(30)29-27-28-22(17-33-27)20-13-11-19(12-14-20)15-18-7-4-3-5-8-18/h3-14,16-17H,2,15H2,1H3,(H,28,29,30)
InChIKeyWZNDDRLKXJFHOB-UHFFFAOYSA-N
XLogP6.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
7-methoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888378
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 4098996
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
8-ethoxy-3-[(E)-C-methyl-N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]chromen-2-one
CID 177374580
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
N-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide
CID 42138603
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide (CID 40888822) is N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)Nc3nc(-c4ccc(Cc5ccccc5)cc4)cs3)oc12.
What is the InChIKey of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide?
The InChIKey is WZNDDRLKXJFHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3S/c1-2-31-23-10-6-9-21-16-24(32-25(21)23)26(30)29-27-28-22(17-33-27)20-13-11-19(12-14-20)15-18-7-4-3-5-8-18/h3-14,16-17H,2,15H2,1H3,(H,28,29,30).
What are the key properties of N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide?
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).