N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C18H20ClN3O2S — CID 4882933

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C18H20ClN3O2S/c1-13-5-6-16(25-13)18(24)20-12-17(23)22-9-7-21(8-10-22)15-4-2-3-14(19)11-15/h2-6,11H,7-10,12H2,1H3,(H,20,24)
InChIKeyRWKHYFNYOJGXNK-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.79
Rot. Bonds4

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 4882933) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID4882933
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C18H20ClN3O2S/c1-13-5-6-16(25-13)18(24)20-12-17(23)22-9-7-21(8-10-22)15-4-2-3-14(19)11-15/h2-6,11H,7-10,12H2,1H3,(H,20,24)
InChIKeyRWKHYFNYOJGXNK-UHFFFAOYSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42628060
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-4-fluoro-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-YL)-phenylcarbamoyl]-methyl}-pyrrolidin-3-YL)-amide
CID 42628063
[4-(3-Chlorophenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 2443218
AJ-292/14128010
CID 669834
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075548
1-(5-Chlorothiophen-2-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]butane-1,4-dione
CID 4787588
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
5-chloro-N-((1R,2S)-2-(4-(2-oxopiperidin-1-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11351302
5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)-5-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 42643389
5-chloro-N-(1-(4-(2-oxopyridin-1(2H)-yl)benzamido)propan-2-yl)thiophene-2-carboxamide
CID 44432470
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)propyl)thiophene-2-carboxamide
CID 44432472

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 4882933) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is RWKHYFNYOJGXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-13-5-6-16(25-13)18(24)20-12-17(23)22-9-7-21(8-10-22)15-4-2-3-14(19)11-15/h2-6,11H,7-10,12H2,1H3,(H,20,24).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 377.90 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4882933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).