N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide

C18H26N4O3S — CID 118791517

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NC(C)Cn2nc(C)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H26N4O3S/c1-13-7-6-8-17(9-13)22(26(5,24)25)12-18(23)19-15(3)11-21-16(4)10-14(2)20-21/h6-10,15H,11-12H2,1-5H3,(H,19,23)
InChIKeySXRVZWSRPMPBTB-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.78
Rot. Bonds7

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 118791517) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID118791517
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NC(C)Cn2nc(C)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H26N4O3S/c1-13-7-6-8-17(9-13)22(26(5,24)25)12-18(23)19-15(3)11-21-16(4)10-14(2)20-21/h6-10,15H,11-12H2,1-5H3,(H,19,23)
InChIKeySXRVZWSRPMPBTB-UHFFFAOYSA-N
XLogP1.78
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 91792054
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92646225
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-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
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-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 3143366
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100669951

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 118791517) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)NC(C)Cn2nc(C)cc2C)S(C)(=O)=O)c1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is SXRVZWSRPMPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-13-7-6-8-17(9-13)22(26(5,24)25)12-18(23)19-15(3)11-21-16(4)10-14(2)20-21/h6-10,15H,11-12H2,1-5H3,(H,19,23).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 378.50 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 118791517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).