N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide

C19H23ClN2OS — CID 2438673

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1C
InChIInChI=1S/C19H23ClN2OS/c1-3-17-13(2)11-18(24-17)19(23)21-15-12-14(20)7-8-16(15)22-9-5-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyMBWGFSRYJBLOSB-UHFFFAOYSA-N
MW362.93 g/mol
LogP5.51
Rot. Bonds4

About N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 2438673) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID2438673
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1C
InChIInChI=1S/C19H23ClN2OS/c1-3-17-13(2)11-18(24-17)19(23)21-15-12-14(20)7-8-16(15)22-9-5-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyMBWGFSRYJBLOSB-UHFFFAOYSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
CID 9954980
3-Chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide
CID 447193
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376605
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376606
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376656
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376888
N-((3R,4S)-1-acetyl-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)-5-chlorothiophene-2-carboxamide
CID 44434818
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155521711
N-[4-[4-(3,5-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155561861
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075548
1-(4-Chlorophenyl)-4-[(4,5-dimethyl-3-thienyl)carbonyl]piperazine
CID 1247359

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 2438673) is N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1C.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is MBWGFSRYJBLOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-3-17-13(2)11-18(24-17)19(23)21-15-12-14(20)7-8-16(15)22-9-5-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 362.93 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 2438673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).