N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

C17H20ClN3OS — CID 2963772

IUPACN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C17H20ClN3OS/c1-2-20-8-10-21(11-9-20)16-13(18)5-3-6-14(16)19-17(22)15-7-4-12-23-15/h3-7,12H,2,8-11H2,1H3,(H,19,22)
InChIKeyJDUCMBYBGXMHJY-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.80
Rot. Bonds4

About N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 2963772) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID2963772
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C17H20ClN3OS/c1-2-20-8-10-21(11-9-20)16-13(18)5-3-6-14(16)19-17(22)15-7-4-12-23-15/h3-7,12H,2,8-11H2,1H3,(H,19,22)
InChIKeyJDUCMBYBGXMHJY-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
AJ-292/14128010
CID 669834
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075548
N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 806954
N-(4-amino-2-chlorophenyl)thiophene-2-carboxamide
CID 649944
N-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
CID 718994
(5-Chlorothiophen-2-yl)(4-phenylpiperazin-1-yl)methanone
CID 1245506
N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
CID 1254644
N-({[3-chloro-4-(1-piperidinyl)phenyl]amino}carbonothioyl)-2-thiophenecarboxamide
CID 1341238
N-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (CID 2963772) is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is CCN1CCN(c2c(Cl)cccc2NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is JDUCMBYBGXMHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-2-20-8-10-21(11-9-20)16-13(18)5-3-6-14(16)19-17(22)15-7-4-12-23-15/h3-7,12H,2,8-11H2,1H3,(H,19,22).
What are the key properties of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2963772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).