N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide

C18H21ClN4O2S — CID 119447731

IUPACN-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H21ClN4O2S/c19-14-4-3-13(12-15(14)22-18(25)16-2-1-11-26-16)17(24)21-7-10-23-8-5-20-6-9-23/h1-4,11-12,20H,5-10H2,(H,21,24)(H,22,25)
InChIKeySGNKGZMSJFCZDW-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.29
Rot. Bonds6

About N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 119447731) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID119447731
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H21ClN4O2S/c19-14-4-3-13(12-15(14)22-18(25)16-2-1-11-26-16)17(24)21-7-10-23-8-5-20-6-9-23/h1-4,11-12,20H,5-10H2,(H,21,24)(H,22,25)
InChIKeySGNKGZMSJFCZDW-UHFFFAOYSA-N
XLogP2.29
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43044364
N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 56558502
4-chloro-3-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119449000
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
3-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448751
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
CID 119446532
N-[2-chloro-5-(4-imidazol-1-ylbutylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55977431
N-[2-chloro-5-(piperidin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119462948
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 26560125

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 119447731) is N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCCN1CCNCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is SGNKGZMSJFCZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-14-4-3-13(12-15(14)22-18(25)16-2-1-11-26-16)17(24)21-7-10-23-8-5-20-6-9-23/h1-4,11-12,20H,5-10H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119447731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).