N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide

C17H20N2O3S — CID 86821772

IUPACN-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCOCc1ccccc1NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c1-2-22-11-13-5-3-4-6-15(13)19-16(20)7-9-18-17(21)14-8-10-23-12-14/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyBAAGETJQSAUXAY-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.04
Rot. Bonds8

About N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 86821772) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID86821772
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCOCc1ccccc1NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c1-2-22-11-13-5-3-4-6-15(13)19-16(20)7-9-18-17(21)14-8-10-23-12-14/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyBAAGETJQSAUXAY-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 86821848
N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 55984716
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
CID 46816863
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 38165800
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617
N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 39166512
N-[3-(5-tert-butyl-2-hydroxyanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 29265430

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide (CID 86821772) is N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide is CCOCc1ccccc1NC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is BAAGETJQSAUXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-22-11-13-5-3-4-6-15(13)19-16(20)7-9-18-17(21)14-8-10-23-12-14/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 86821772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).