N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C19H22ClN3O2S — CID 31196088

IUPACN-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C19H22ClN3O2S/c1-14-2-7-17(26-14)19(25)21-12-18(24)23-10-8-22(9-11-23)13-15-3-5-16(20)6-4-15/h2-7H,8-13H2,1H3,(H,21,25)
InChIKeyCCTYOJZEMBAGDC-UHFFFAOYSA-N
MW391.92 g/mol
LogP2.78
Rot. Bonds5

About N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 31196088) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID31196088
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C19H22ClN3O2S/c1-14-2-7-17(26-14)19(25)21-12-18(24)23-10-8-22(9-11-23)13-15-3-5-16(20)6-4-15/h2-7H,8-13H2,1H3,(H,21,25)
InChIKeyCCTYOJZEMBAGDC-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18157517
5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 61175116
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55849696
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29260837
5-methyl-N-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 18146017
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 43403221
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18140355
5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 31669649
4-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 55915258

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 31196088) is N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is CCTYOJZEMBAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-14-2-7-17(26-14)19(25)21-12-18(24)23-10-8-22(9-11-23)13-15-3-5-16(20)6-4-15/h2-7H,8-13H2,1H3,(H,21,25).
What are the key properties of N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 31196088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).