1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide

C17H25N3O4S — CID 175656351

IUPAC1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C(C(N)=O)C1
InChIInChI=1S/C17H25N3O4S/c1-12(2)19-8-9-20(15(11-19)17(18)22)16(21)10-13-4-6-14(7-5-13)25(3,23)24/h4-7,12,15H,8-11H2,1-3H3,(H2,18,22)
InChIKeySAEWSBKCKKHWRZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.04
Rot. Bonds5

About 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide

1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 175656351) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID175656351
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C(C(N)=O)C1
InChIInChI=1S/C17H25N3O4S/c1-12(2)19-8-9-20(15(11-19)17(18)22)16(21)10-13-4-6-14(7-5-13)25(3,23)24/h4-7,12,15H,8-11H2,1-3H3,(H2,18,22)
InChIKeySAEWSBKCKKHWRZ-UHFFFAOYSA-N
XLogP0.04
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide 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

(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 124951183
1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110086198
1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
CID 155958808
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
1-[2-(4-methylsulfonylphenyl)aziridin-1-yl]-2-phenylethanone
CID 175343889
4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide
CID 135165339
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176
1-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 137344868
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 118776593
2-(4-methylsulfonylphenyl)ethanethioamide
CID 83969581
1-[(3aR,4R,6aS)-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 166622753
N-(2-methylpropyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbothioamide
CID 3853711

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide (CID 175656351) is 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C(C(N)=O)C1.
What is the InChIKey of 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is SAEWSBKCKKHWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12(2)19-8-9-20(15(11-19)17(18)22)16(21)10-13-4-6-14(7-5-13)25(3,23)24/h4-7,12,15H,8-11H2,1-3H3,(H2,18,22).
What are the key properties of 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide?
1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 175656351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).