N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide

C19H24N4O2S — CID 119393887

IUPACN-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H24N4O2S/c24-18(21-7-3-10-23-11-8-20-9-12-23)15-4-1-5-16(14-15)22-19(25)17-6-2-13-26-17/h1-2,4-6,13-14,20H,3,7-12H2,(H,21,24)(H,22,25)
InChIKeyWZHXWWJDWQRCHJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.03
Rot. Bonds7

About N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 119393887) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID119393887
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H24N4O2S/c24-18(21-7-3-10-23-11-8-20-9-12-23)15-4-1-5-16(14-15)22-19(25)17-6-2-13-26-17/h1-2,4-6,13-14,20H,3,7-12H2,(H,21,24)(H,22,25)
InChIKeyWZHXWWJDWQRCHJ-UHFFFAOYSA-N
XLogP2.03
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55660173
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392891
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392890
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9323762
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 119393887) is N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCCCN1CCNCC1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is WZHXWWJDWQRCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-18(21-7-3-10-23-11-8-20-9-12-23)15-4-1-5-16(14-15)22-19(25)17-6-2-13-26-17/h1-2,4-6,13-14,20H,3,7-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119393887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).