N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride

C18H24ClN3O2S — CID 120648958

IUPACN-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C18H23N3O2S.ClH/c19-9-4-11-21(13-15-5-2-1-3-6-15)17(22)7-10-20-18(23)16-8-12-24-14-16;/h1-3,5-6,8,12,14H,4,7,9-11,13,19H2,(H,20,23);1H
InChIKeyNPAMGJRUSFAFRJ-UHFFFAOYSA-N
MW381.93 g/mol
LogP2.67
Rot. Bonds9

About N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride

N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride (PubChem CID 120648958) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
PubChem CID120648958
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C18H23N3O2S.ClH/c19-9-4-11-21(13-15-5-2-1-3-6-15)17(22)7-10-20-18(23)16-8-12-24-14-16;/h1-3,5-6,8,12,14H,4,7,9-11,13,19H2,(H,20,23);1H
InChIKeyNPAMGJRUSFAFRJ-UHFFFAOYSA-N
XLogP2.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]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

N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 120648959
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
N-[3-(2-benzyl-2-phenylhydrazinyl)-3-oxopropyl]thiophene-3-carboxamide
CID 39476486
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291
N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride
CID 120649485
N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18113918
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 120649533

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride (CID 120648958) is N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is NPAMGJRUSFAFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c19-9-4-11-21(13-15-5-2-1-3-6-15)17(22)7-10-20-18(23)16-8-12-24-14-16;/h1-3,5-6,8,12,14H,4,7,9-11,13,19H2,(H,20,23);1H.
What are the key properties of N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride?
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120648958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).