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

C17H20ClN3OS — CID 969199

IUPACN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1
InChIInChI=1S/C17H20ClN3OS/c1-2-20-7-9-21(10-8-20)15-6-5-13(12-14(15)18)19-17(22)16-4-3-11-23-16/h3-6,11-12H,2,7-10H2,1H3,(H,19,22)
InChIKeyMNUKLPPCJLKFJX-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.80
Rot. Bonds4

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

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 969199) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID969199
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1
InChIInChI=1S/C17H20ClN3OS/c1-2-20-7-9-21(10-8-20)15-6-5-13(12-14(15)18)19-17(22)16-4-3-11-23-16/h3-6,11-12H,2,7-10H2,1H3,(H,19,22)
InChIKeyMNUKLPPCJLKFJX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 46830361
N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]thiophene-2-carboxamide
CID 2944003
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 3262820
N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 3322703
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3,5-dimethylbenzamide
CID 1295105
N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17116228
N-[2-chloro-5-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 134016335
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]hexanamide
CID 5213764
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid
CID 46363267
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (CID 969199) is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is MNUKLPPCJLKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-2-20-7-9-21(10-8-20)15-6-5-13(12-14(15)18)19-17(22)16-4-3-11-23-16/h3-6,11-12H,2,7-10H2,1H3,(H,19,22).
What are the key properties of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
N-[3-chloro-4-(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-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 969199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).