N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide

C17H28N4O3S — CID 86826328

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CN2CCN(C(C)C)CC2)ccc1C
InChIInChI=1S/C17H28N4O3S/c1-13(2)21-9-7-20(8-10-21)12-17(22)19-15-6-5-14(3)16(11-15)25(23,24)18-4/h5-6,11,13,18H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyDJTZPWXPVZNEGN-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.87
Rot. Bonds6

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 86826328) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
PubChem CID86826328
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CN2CCN(C(C)C)CC2)ccc1C
InChIInChI=1S/C17H28N4O3S/c1-13(2)21-9-7-20(8-10-21)12-17(22)19-15-6-5-14(3)16(11-15)25(23,24)18-4/h5-6,11,13,18H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyDJTZPWXPVZNEGN-UHFFFAOYSA-N
XLogP0.87
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 24646802
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8914627
(3aS,6aR)-2-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681378
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923998
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9479440
cyclopropyl-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8916373
2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
CID 119907721

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide (CID 86826328) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide is CNS(=O)(=O)c1cc(NC(=O)CN2CCN(C(C)C)CC2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The InChIKey is DJTZPWXPVZNEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-13(2)21-9-7-20(8-10-21)12-17(22)19-15-6-5-14(3)16(11-15)25(23,24)18-4/h5-6,11,13,18H,7-10,12H2,1-4H3,(H,19,22).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 368.50 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 86826328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).