N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide

C16H25N3O3S — CID 124984397

IUPACN-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(S(=O)(=O)C(C)C)CCN2C)c1
InChIInChI=1S/C16H25N3O3S/c1-12(2)23(21,22)19-9-8-18(4)15(11-19)13-6-5-7-14(10-13)16(20)17-3/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,17,20)/t15-/m0/s1
InChIKeyNKKLNDNKNYQYEW-HNNXBMFYSA-N
MW339.46 g/mol
LogP1.07
Rot. Bonds4

About N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide

N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide (PubChem CID 124984397) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide
PubChem CID124984397
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(S(=O)(=O)C(C)C)CCN2C)c1
InChIInChI=1S/C16H25N3O3S/c1-12(2)23(21,22)19-9-8-18(4)15(11-19)13-6-5-7-14(10-13)16(20)17-3/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,17,20)/t15-/m0/s1
InChIKeyNKKLNDNKNYQYEW-HNNXBMFYSA-N
XLogP1.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 125007656
3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110258018
N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
CID 110258484
3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 95826819
3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 129456366
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
3-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110122390
3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
CID 110632012
formic acid;N-methyl-3-[1-methyl-4-[(3-methyl-2-pyridinyl)methyl]piperazin-2-yl]benzamide
CID 171688369
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
3-[4-[2-(3-chloro-4-morpholin-4-ylanilino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110122298

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide?
The IUPAC name of N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide (CID 124984397) is N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide?
The canonical SMILES for N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide is CNC(=O)c1cccc([C@@H]2CN(S(=O)(=O)C(C)C)CCN2C)c1.
What is the InChIKey of N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide?
The InChIKey is NKKLNDNKNYQYEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)23(21,22)19-9-8-18(4)15(11-19)13-6-5-7-14(10-13)16(20)17-3/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,17,20)/t15-/m0/s1.
What are the key properties of N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide?
N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide is sourced from PubChem (CID 124984397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).