2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide

C15H18ClN3O4S — CID 42653788

IUPAC2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
SMILESO=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C15H18ClN3O4S/c16-10-1-5-12(6-2-10)24(22,23)19-8-7-17-15(21)13(19)9-14(20)18-11-3-4-11/h1-2,5-6,11,13H,3-4,7-9H2,(H,17,21)(H,18,20)
InChIKeyUNXOGMCAVKASLM-UHFFFAOYSA-N
MW371.85 g/mol
LogP0.50
Rot. Bonds5

About 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide

2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide (PubChem CID 42653788) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
PubChem CID42653788
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
SMILESO=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C15H18ClN3O4S/c16-10-1-5-12(6-2-10)24(22,23)19-8-7-17-15(21)13(19)9-14(20)18-11-3-4-11/h1-2,5-6,11,13H,3-4,7-9H2,(H,17,21)(H,18,20)
InChIKeyUNXOGMCAVKASLM-UHFFFAOYSA-N
XLogP0.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[6-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]acetamide
CID 175247449
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 143068313
2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 69077821
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(2R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 11330421
ethyl 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479023
2-[(1R)-2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-cyclopropylacetamide
CID 93076098
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[6-(1,3-dithian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 91294785
(3R)-4-(4-chlorophenyl)sulfonyl-3-prop-2-ynylpiperazin-2-one
CID 86604871
3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17079717
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[6-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 72774021
2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide
CID 6976024
2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-(2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;dithiane
CID 158443168

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide (CID 42653788) is 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide is O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NC1CC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide?
The InChIKey is UNXOGMCAVKASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c16-10-1-5-12(6-2-10)24(22,23)19-8-7-17-15(21)13(19)9-14(20)18-11-3-4-11/h1-2,5-6,11,13H,3-4,7-9H2,(H,17,21)(H,18,20).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide?
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide has a molecular weight of 371.85 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 42653788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).