N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide

C21H15NO3S — CID 4065338

IUPACN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1
InChIInChI=1S/C21H15NO3S/c1-13-8-10-14(11-9-13)19(23)20-18(15-5-2-3-6-16(15)25-20)22-21(24)17-7-4-12-26-17/h2-12H,1H3,(H,22,24)
InChIKeyZWIVZEKERSOZJP-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.29
Rot. Bonds4

About N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 4065338) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID4065338
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC NameN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1
InChIInChI=1S/C21H15NO3S/c1-13-8-10-14(11-9-13)19(23)20-18(15-5-2-3-6-16(15)25-20)22-21(24)17-7-4-12-26-17/h2-12H,1H3,(H,22,24)
InChIKeyZWIVZEKERSOZJP-UHFFFAOYSA-N
XLogP5.29
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-3-carboxamide
CID 52904616
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 19114824
4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
CID 2138486
N-[3-(4-methylphenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4870395
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
CID 110825903
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189
N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
CID 4072165
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 3445612
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 4065338) is N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is ZWIVZEKERSOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3S/c1-13-8-10-14(11-9-13)19(23)20-18(15-5-2-3-6-16(15)25-20)22-21(24)17-7-4-12-26-17/h2-12H,1H3,(H,22,24).
What are the key properties of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4065338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).