N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C18H29N3O3S — CID 8692203

IUPACN-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N3O3S/c1-5-18(3,4)19-17(22)14-20-10-12-21(13-11-20)25(23,24)16-8-6-15(2)7-9-16/h6-9H,5,10-14H2,1-4H3,(H,19,22)
InChIKeyQQJVXCAVAIELFR-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.61
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8692203) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8692203
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H29N3O3S/c1-5-18(3,4)19-17(22)14-20-10-12-21(13-11-20)25(23,24)16-8-6-15(2)7-9-16/h6-9H,5,10-14H2,1-4H3,(H,19,22)
InChIKeyQQJVXCAVAIELFR-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8597970
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8694377
N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 26626370
methyl 2-methyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]propanoate
CID 55911424
N-(tert-butylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2698072
N-(2-amino-2-ethylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119641093
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-one
CID 110709795
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8692203) is N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is QQJVXCAVAIELFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-5-18(3,4)19-17(22)14-20-10-12-21(13-11-20)25(23,24)16-8-6-15(2)7-9-16/h6-9H,5,10-14H2,1-4H3,(H,19,22).
What are the key properties of N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 367.52 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8692203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).