2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

C17H24N4O3S — CID 91792054

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCc1cccc(N(CC(=O)NC(C)CCn2cccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H24N4O3S/c1-14-6-4-7-16(12-14)21(25(3,23)24)13-17(22)19-15(2)8-11-20-10-5-9-18-20/h4-7,9-10,12,15H,8,11,13H2,1-3H3,(H,19,22)
InChIKeyQIEFEIUNXDERLA-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.55
Rot. Bonds8

About 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (PubChem CID 91792054) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
PubChem CID91792054
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCc1cccc(N(CC(=O)NC(C)CCn2cccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H24N4O3S/c1-14-6-4-7-16(12-14)21(25(3,23)24)13-17(22)19-15(2)8-11-20-10-5-9-18-20/h4-7,9-10,12,15H,8,11,13H2,1-3H3,(H,19,22)
InChIKeyQIEFEIUNXDERLA-UHFFFAOYSA-N
XLogP1.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 135119204
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 118791517
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92646225
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28577972
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681523
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681167
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43876048
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (CID 91792054) is 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is Cc1cccc(N(CC(=O)NC(C)CCn2cccn2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The InChIKey is QIEFEIUNXDERLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-14-6-4-7-16(12-14)21(25(3,23)24)13-17(22)19-15(2)8-11-20-10-5-9-18-20/h4-7,9-10,12,15H,8,11,13H2,1-3H3,(H,19,22).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 91792054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).