4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide

C17H28N4O3S — CID 97143263

IUPAC4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1ccc([C@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)N(C)C)cc1
InChIInChI=1S/C17H28N4O3S/c1-14-6-8-15(9-7-14)16(18(2)3)17(22)20-10-12-21(13-11-20)25(23,24)19(4)5/h6-9,16H,10-13H2,1-5H3/t16-/m1/s1
InChIKeyOWFAKWVMUNMZJR-MRXNPFEDSA-N
MW368.50 g/mol
LogP0.55
Rot. Bonds5

About 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 97143263) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID97143263
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1ccc([C@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)N(C)C)cc1
InChIInChI=1S/C17H28N4O3S/c1-14-6-8-15(9-7-14)16(18(2)3)17(22)20-10-12-21(13-11-20)25(23,24)19(4)5/h6-9,16H,10-13H2,1-5H3/t16-/m1/s1
InChIKeyOWFAKWVMUNMZJR-MRXNPFEDSA-N
XLogP0.55
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 131889644
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
(2R)-2-(dimethylamino)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 97200788
(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone
CID 97129286
N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide
CID 108568945
N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 133187649
2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 131907631
2-(dimethylamino)-2-(4-methylphenyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 72859084
(2S)-2-(dimethylamino)-2-(4-methylphenyl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 97140521
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910
(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 126453714

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 97143263) is 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide is Cc1ccc([C@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)N(C)C)cc1.
What is the InChIKey of 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is OWFAKWVMUNMZJR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-14-6-8-15(9-7-14)16(18(2)3)17(22)20-10-12-21(13-11-20)25(23,24)19(4)5/h6-9,16H,10-13H2,1-5H3/t16-/m1/s1.
What are the key properties of 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 97143263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).