N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

C18H21N3O2S — CID 894953

IUPACN-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C18H21N3O2S/c1-2-17(22)21-11-9-20(10-12-21)15-7-4-3-6-14(15)19-18(23)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3,(H,19,23)
InChIKeyQBJWOYPZYDFDRG-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 894953) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID894953
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C18H21N3O2S/c1-2-17(22)21-11-9-20(10-12-21)15-7-4-3-6-14(15)19-18(23)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3,(H,19,23)
InChIKeyQBJWOYPZYDFDRG-UHFFFAOYSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)thiophene-2-carboxamide
CID 736373
N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
CID 213545
N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
4-(4,5-Dibromothiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2100759
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
N-[4-(Acetyl-methyl-amino)-phenyl]-2-thiophen-2-yl-acetamide
CID 670788
N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide
CID 761867
N-[2-(1-piperidinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (CID 894953) is N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is QBJWOYPZYDFDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-17(22)21-11-9-20(10-12-21)15-7-4-3-6-14(15)19-18(23)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3,(H,19,23).
What are the key properties of N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propanoylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 894953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).