N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide

C22H22N2O3S — CID 46494690

IUPACN-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-2-27-18-15-19(16-9-5-3-6-10-16)28-20(18)22(26)24-14-13-23-21(25)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyRWPIRCNKLSFGGL-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.97
Rot. Bonds8

About N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide

N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide (PubChem CID 46494690) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
PubChem CID46494690
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-2-27-18-15-19(16-9-5-3-6-10-16)28-20(18)22(26)24-14-13-23-21(25)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyRWPIRCNKLSFGGL-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(furan-2-yl)ethyl]-5-phenylthiophene-2-carboxamide
CID 55792612
3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55930778
3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-phenylthiophene-2-carboxamide;hydrochloride
CID 120945121
N-(2-hydroxyethyl)-5-phenyl-3-phenylmethoxythiophene-2-carboxamide
CID 78888376
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 119455398
3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide
CID 55796192
3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide
CID 55793294
3-ethoxy-N-(2-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120600484
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 52652606

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide (CID 46494690) is N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide?
The InChIKey is RWPIRCNKLSFGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-2-27-18-15-19(16-9-5-3-6-10-16)28-20(18)22(26)24-14-13-23-21(25)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide?
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 46494690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).