N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide

C17H20N2O4S — CID 863526

IUPACN-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(C)=O
InChIInChI=1S/C17H20N2O4S/c1-4-22-14-10-13(19-17(21)16-7-6-8-24-16)15(23-5-2)9-12(14)18-11(3)20/h6-10H,4-5H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQNMNRGPLYYXRCF-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.76
Rot. Bonds7

About N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide

N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide (PubChem CID 863526) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
PubChem CID863526
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(C)=O
InChIInChI=1S/C17H20N2O4S/c1-4-22-14-10-13(19-17(21)16-7-6-8-24-16)15(23-5-2)9-12(14)18-11(3)20/h6-10H,4-5H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQNMNRGPLYYXRCF-UHFFFAOYSA-N
XLogP3.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-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

ethyl 2-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-2-oxoacetate
CID 3189536
4-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-4-oxobut-2-enoic acid
CID 1374365
N-[4-(3-chloropropanoylamino)-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3690006
N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3874381
(2S)-N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]oxolane-2-carboxamide
CID 1138798
N-[4-[3-(diethylamino)propylcarbamothioylamino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3186757
N-[2-chloro-5-[(2,5-diethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26682667
N-[3-[(2-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 31516964
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1341426
N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122301798

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide (CID 863526) is N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide is CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is QNMNRGPLYYXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-22-14-10-13(19-17(21)16-7-6-8-24-16)15(23-5-2)9-12(14)18-11(3)20/h6-10H,4-5H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide?
N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 863526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).