2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide

C20H22ClN3O2S — CID 17412087

IUPAC2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)NC1CC1
InChIInChI=1S/C20H22ClN3O2S/c21-15-3-1-14(2-4-15)17-7-8-18(27-17)20(26)24-11-9-23(10-12-24)13-19(25)22-16-5-6-16/h1-4,7-8,16H,5-6,9-13H2,(H,22,25)
InChIKeyJBSXKBQFJGDYMF-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 17412087) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID17412087
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)NC1CC1
InChIInChI=1S/C20H22ClN3O2S/c21-15-3-1-14(2-4-15)17-7-8-18(27-17)20(26)24-11-9-23(10-12-24)13-19(25)22-16-5-6-16/h1-4,7-8,16H,5-6,9-13H2,(H,22,25)
InChIKeyJBSXKBQFJGDYMF-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31427469
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
CID 119485306
[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413228
[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847856
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735068
N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31991213
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31427597
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 126798500
N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 17412087) is 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)NC1CC1.
What is the InChIKey of 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is JBSXKBQFJGDYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c21-15-3-1-14(2-4-15)17-7-8-18(27-17)20(26)24-11-9-23(10-12-24)13-19(25)22-16-5-6-16/h1-4,7-8,16H,5-6,9-13H2,(H,22,25).
What are the key properties of 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 403.94 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 17412087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).