(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide

C23H29N3O3S — CID 9038052

IUPAC(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O3S/c1-17-8-11-21(18(2)16-17)30(28,29)26-14-12-25(13-15-26)22(19-6-4-3-5-7-19)23(27)24-20-9-10-20/h3-8,11,16,20,22H,9-10,12-15H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyOASAQHDLNKFWOJ-JOCHJYFZSA-N
MW427.57 g/mol
LogP2.63
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide

(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide (PubChem CID 9038052) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
PubChem CID9038052
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H29N3O3S/c1-17-8-11-21(18(2)16-17)30(28,29)26-14-12-25(13-15-26)22(19-6-4-3-5-7-19)23(27)24-20-9-10-20/h3-8,11,16,20,22H,9-10,12-15H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyOASAQHDLNKFWOJ-JOCHJYFZSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 24679978
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9036697
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9029671
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730834
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24680007
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 8730839
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16593824
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide (CID 9038052) is (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide is Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The InChIKey is OASAQHDLNKFWOJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-17-8-11-21(18(2)16-17)30(28,29)26-14-12-25(13-15-26)22(19-6-4-3-5-7-19)23(27)24-20-9-10-20/h3-8,11,16,20,22H,9-10,12-15H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide has a molecular weight of 427.57 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 9038052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).