N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H22N4O3S — CID 41358567

IUPACN-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H22N4O3S/c1-10(13-5-7-14(8-6-13)24(17,22)23)18-16(21)9-15-11(2)19-20(4)12(15)3/h5-8,10H,9H2,1-4H3,(H,18,21)(H2,17,22,23)/t10-/m0/s1
InChIKeyGDGHBRSTZKXZCS-JTQLQIEISA-N
MW350.44 g/mol
LogP1.10
Rot. Bonds5

About N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 41358567) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID41358567
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H22N4O3S/c1-10(13-5-7-14(8-6-13)24(17,22)23)18-16(21)9-15-11(2)19-20(4)12(15)3/h5-8,10H,9H2,1-4H3,(H,18,21)(H2,17,22,23)/t10-/m0/s1
InChIKeyGDGHBRSTZKXZCS-JTQLQIEISA-N
XLogP1.10
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42929090
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55841246
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41041009
ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
CID 61342578
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604266
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295081
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 9373222
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875
2-(2-chlorophenyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 27758673

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 41358567) is N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is GDGHBRSTZKXZCS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-10(13-5-7-14(8-6-13)24(17,22)23)18-16(21)9-15-11(2)19-20(4)12(15)3/h5-8,10H,9H2,1-4H3,(H,18,21)(H2,17,22,23)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 41358567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).