5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide

C19H23NO4S — CID 9088020

IUPAC5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1OCCC
InChIInChI=1S/C19H23NO4S/c1-4-10-23-15-7-6-14(12-16(15)24-11-5-2)20-19(22)18-9-8-17(25-18)13(3)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,22)
InChIKeyNYOURDFOOZQZKU-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.78
Rot. Bonds9

About 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide

5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide (PubChem CID 9088020) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
PubChem CID9088020
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1OCCC
InChIInChI=1S/C19H23NO4S/c1-4-10-23-15-7-6-14(12-16(15)24-11-5-2)20-19(22)18-9-8-17(25-18)13(3)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,22)
InChIKeyNYOURDFOOZQZKU-UHFFFAOYSA-N
XLogP4.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 36667250
5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
CID 26212642
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
CID 131938402
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988
N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide (CID 9088020) is 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide is CCCOc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1OCCC.
What is the InChIKey of 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide?
The InChIKey is NYOURDFOOZQZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-10-23-15-7-6-14(12-16(15)24-11-5-2)20-19(22)18-9-8-17(25-18)13(3)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,22).
What are the key properties of 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide?
5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9088020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).