N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide

C23H24N2O3S — CID 60564468

IUPACN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3sccc3C(C)C)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-4-28-19-11-9-18(10-12-19)24-22(26)16-5-7-17(8-6-16)25-23(27)21-20(15(2)3)13-14-29-21/h5-15H,4H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBHGFPEBKSXMMFO-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.77
Rot. Bonds7

About N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 60564468) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
PubChem CID60564468
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3sccc3C(C)C)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-4-28-19-11-9-18(10-12-19)24-22(26)16-5-7-17(8-6-16)25-23(27)21-20(15(2)3)13-14-29-21/h5-15H,4H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBHGFPEBKSXMMFO-UHFFFAOYSA-N
XLogP5.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
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CID 13388921
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CID 23876301
N-(1-benzothiophen-5-yl)-4-ethoxybenzamide
CID 23796811
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782334
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
4-[(4-ethoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 17196180
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide (CID 60564468) is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)c3sccc3C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is BHGFPEBKSXMMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-4-28-19-11-9-18(10-12-19)24-22(26)16-5-7-17(8-6-16)25-23(27)21-20(15(2)3)13-14-29-21/h5-15H,4H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide?
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 60564468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).