N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide

C19H25N3O2S — CID 18272017

IUPACN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(CCCNC(=O)CCNC(=O)c1ccsc1)Cc1ccccc1
InChIInChI=1S/C19H25N3O2S/c1-22(14-16-6-3-2-4-7-16)12-5-10-20-18(23)8-11-21-19(24)17-9-13-25-15-17/h2-4,6-7,9,13,15H,5,8,10-12,14H2,1H3,(H,20,23)(H,21,24)
InChIKeyKSYPIEFBZGKSPF-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.51
Rot. Bonds10

About N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 18272017) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID18272017
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(CCCNC(=O)CCNC(=O)c1ccsc1)Cc1ccccc1
InChIInChI=1S/C19H25N3O2S/c1-22(14-16-6-3-2-4-7-16)12-5-10-20-18(23)8-11-21-19(24)17-9-13-25-15-17/h2-4,6-7,9,13,15H,5,8,10-12,14H2,1H3,(H,20,23)(H,21,24)
InChIKeyKSYPIEFBZGKSPF-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[3-(2-benzyl-2-phenylhydrazinyl)-3-oxopropyl]thiophene-3-carboxamide
CID 39476486
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 120648959
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 120648958
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-[4-(2-benzylsulfanylethylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18195771
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 18272017) is N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide is CN(CCCNC(=O)CCNC(=O)c1ccsc1)Cc1ccccc1.
What is the InChIKey of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is KSYPIEFBZGKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-22(14-16-6-3-2-4-7-16)12-5-10-20-18(23)8-11-21-19(24)17-9-13-25-15-17/h2-4,6-7,9,13,15H,5,8,10-12,14H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 18272017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).