1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide

C18H27N3O4S — CID 23848938

IUPAC1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1C(=O)NCC(C)C
InChIInChI=1S/C18H27N3O4S/c1-13(2)11-19-18(23)17-12-20(9-10-21(17)15(4)22)26(24,25)16-7-5-14(3)6-8-16/h5-8,13,17H,9-12H2,1-4H3,(H,19,23)
InChIKeyASQVWUWVYYXYSU-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.99
Rot. Bonds5

About 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide

1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide (PubChem CID 23848938) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide
PubChem CID23848938
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1C(=O)NCC(C)C
InChIInChI=1S/C18H27N3O4S/c1-13(2)11-19-18(23)17-12-20(9-10-21(17)15(4)22)26(24,25)16-7-5-14(3)6-8-16/h5-8,13,17H,9-12H2,1-4H3,(H,19,23)
InChIKeyASQVWUWVYYXYSU-UHFFFAOYSA-N
XLogP0.99
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002804
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
(2R)-2-methyl-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 97324577
(2S)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)piperazine-2-carboxamide
CID 11887590
2-[1-(4-methylphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681735
N-[(2R)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 92506922
2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111059257
(3S)-N-[(Z)-5-methylhexan-2-ylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 9409061
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide?
The IUPAC name of 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide (CID 23848938) is 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1C(=O)NCC(C)C.
What is the InChIKey of 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide?
The InChIKey is ASQVWUWVYYXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-13(2)11-19-18(23)17-12-20(9-10-21(17)15(4)22)26(24,25)16-7-5-14(3)6-8-16/h5-8,13,17H,9-12H2,1-4H3,(H,19,23).
What are the key properties of 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide?
1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-2-carboxamide is sourced from PubChem (CID 23848938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).