N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide

C18H22N2O3S — CID 7167233

IUPACN-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCCCCCOc1cccc(C(=O)Nc2sccc2C(=O)NC)c1
InChIInChI=1S/C18H22N2O3S/c1-3-4-5-10-23-14-8-6-7-13(12-14)16(21)20-18-15(9-11-24-18)17(22)19-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHNOHCKAEOAXLTG-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.93
Rot. Bonds8

About N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide

N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide (PubChem CID 7167233) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide
PubChem CID7167233
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCCCCCOc1cccc(C(=O)Nc2sccc2C(=O)NC)c1
InChIInChI=1S/C18H22N2O3S/c1-3-4-5-10-23-14-8-6-7-13(12-14)16(21)20-18-15(9-11-24-18)17(22)19-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHNOHCKAEOAXLTG-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-2-[(3-pentoxybenzoyl)amino]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

methyl N-[2-[(3-butoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167065
ethyl 2-[(3-butoxybenzoyl)amino]thiophene-3-carboxylate
CID 7166948
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
3-pentoxybenzohydrazide
CID 54793157
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-hexoxybenzohydrazide
CID 54793158
3-heptoxybenzohydrazide
CID 54793165
2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857860
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
ethyl 4-carbamoyl-3-methyl-5-[(3-pentoxybenzoyl)amino]thiophene-2-carboxylate
CID 7521216
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide (CID 7167233) is N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide is CCCCCOc1cccc(C(=O)Nc2sccc2C(=O)NC)c1.
What is the InChIKey of N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is HNOHCKAEOAXLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-4-5-10-23-14-8-6-7-13(12-14)16(21)20-18-15(9-11-24-18)17(22)19-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide?
N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 7167233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).