N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride

C17H22ClN3O2S — CID 119408824

IUPACN-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride
SMILESCCc1ccc(C(=O)Nc2sccc2C(=O)NCCCN)cc1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-2-12-4-6-13(7-5-12)15(21)20-17-14(8-11-23-17)16(22)19-10-3-9-18;/h4-8,11H,2-3,9-10,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyJKLPWGIAVZZSSA-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.06
Rot. Bonds7

About N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride

N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride (PubChem CID 119408824) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride
PubChem CID119408824
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC NameN-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride
SMILESCCc1ccc(C(=O)Nc2sccc2C(=O)NCCCN)cc1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-2-12-4-6-13(7-5-12)15(21)20-17-14(8-11-23-17)16(22)19-10-3-9-18;/h4-8,11H,2-3,9-10,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyJKLPWGIAVZZSSA-UHFFFAOYSA-N
XLogP3.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride 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

2-[(4-ethylbenzoyl)amino]-N-(2H-triazol-4-ylmethyl)thiophene-3-carboxamide
CID 75494949
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895
3-[[2-[(4-ethylbenzoyl)amino]thiophene-3-carbonyl]-methylamino]propanoic acid
CID 119362961
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate
CID 7996489
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
CID 119648185
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
N-[2-(2,2-diethoxyethoxy)ethyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 86820089
N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119405175
methyl N-[4-[[[2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55963519

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride (CID 119408824) is N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride is CCc1ccc(C(=O)Nc2sccc2C(=O)NCCCN)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride?
The InChIKey is JKLPWGIAVZZSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c1-2-12-4-6-13(7-5-12)15(21)20-17-14(8-11-23-17)16(22)19-10-3-9-18;/h4-8,11H,2-3,9-10,18H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[(4-ethylbenzoyl)amino]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119408824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).