2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide

C17H22ClN3O2S — CID 31427469

IUPAC2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)CSc2ccc(Cl)cc2)CC1)NC1CC1
InChIInChI=1S/C17H22ClN3O2S/c18-13-1-5-15(6-2-13)24-12-17(23)21-9-7-20(8-10-21)11-16(22)19-14-3-4-14/h1-2,5-6,14H,3-4,7-12H2,(H,19,22)
InChIKeyKMFWUWNBEKCAAJ-UHFFFAOYSA-N
MW367.90 g/mol
LogP1.85
Rot. Bonds6

About 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 31427469) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID31427469
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)CSc2ccc(Cl)cc2)CC1)NC1CC1
InChIInChI=1S/C17H22ClN3O2S/c18-13-1-5-15(6-2-13)24-12-17(23)21-9-7-20(8-10-21)11-16(22)19-14-3-4-14/h1-2,5-6,14H,3-4,7-12H2,(H,19,22)
InChIKeyKMFWUWNBEKCAAJ-UHFFFAOYSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686
2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 126798500
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735068
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 17412087
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
2-[4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
CID 8926504
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31427597
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 22108072

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 31427469) is 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)CSc2ccc(Cl)cc2)CC1)NC1CC1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is KMFWUWNBEKCAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c18-13-1-5-15(6-2-13)24-12-17(23)21-9-7-20(8-10-21)11-16(22)19-14-3-4-14/h1-2,5-6,14H,3-4,7-12H2,(H,19,22).
What are the key properties of 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 367.90 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 31427469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).