2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C18H20ClN3O2S — CID 18096648

IUPAC2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(Cl)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H20ClN3O2S/c1-13-4-5-14(19)11-15(13)20-12-17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h2-5,10-11,20H,6-9,12H2,1H3
InChIKeyKZHDGPSNPYTULK-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.11
Rot. Bonds4

About 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 18096648) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID18096648
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(Cl)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H20ClN3O2S/c1-13-4-5-14(19)11-15(13)20-12-17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h2-5,10-11,20H,6-9,12H2,1H3
InChIKeyKZHDGPSNPYTULK-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 39964978
2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 43015996
2-(3-chloro-2-propan-2-yloxyanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86972151
[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8710418
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004660
N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17491103
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86899712
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 18096648) is 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(Cl)cc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KZHDGPSNPYTULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-13-4-5-14(19)11-15(13)20-12-17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h2-5,10-11,20H,6-9,12H2,1H3.
What are the key properties of 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 377.90 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18096648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).