N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide

C20H31N3O4S — CID 8819159

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-16(2)17-5-7-19(8-6-17)28(25,26)23-11-9-22(10-12-23)15-20(24)21-14-18-4-3-13-27-18/h5-8,16,18H,3-4,9-15H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyXOPCUGRBSXUTCR-GOSISDBHSA-N
MW409.55 g/mol
LogP1.41
Rot. Bonds7

About N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8819159) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8819159
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-16(2)17-5-7-19(8-6-17)28(25,26)23-11-9-22(10-12-23)15-20(24)21-14-18-4-3-13-27-18/h5-8,16,18H,3-4,9-15H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyXOPCUGRBSXUTCR-GOSISDBHSA-N
XLogP1.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 7964739
N-[[(2R)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429463
N-[[(2S)-oxolan-2-yl]methyl]-2-[5-(4-pyrrolidin-1-ylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1429464
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091
N-(propan-2-ylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8796879
N-(2,3-dimethylcyclohexyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 42913737
N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902945
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
N-(oxolan-2-ylmethyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3178254
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26815378
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8689395
N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 35096313

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8819159) is N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is XOPCUGRBSXUTCR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-16(2)17-5-7-19(8-6-17)28(25,26)23-11-9-22(10-12-23)15-20(24)21-14-18-4-3-13-27-18/h5-8,16,18H,3-4,9-15H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 409.55 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8819159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).