N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H18N4O3S — CID 138047181

IUPACN-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NS(=O)(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H18N4O3S/c1-10-14(11(2)20(3)18-10)9-16(21)19-24(22,23)13-4-5-15-12(8-13)6-7-17-15/h4-8,17H,9H2,1-3H3,(H,19,21)
InChIKeyLRQLSLFFGNJRPO-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.57
Rot. Bonds4

About N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 138047181) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID138047181
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NS(=O)(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H18N4O3S/c1-10-14(11(2)20(3)18-10)9-16(21)19-24(22,23)13-4-5-15-12(8-13)6-7-17-15/h4-8,17H,9H2,1-3H3,(H,19,21)
InChIKeyLRQLSLFFGNJRPO-UHFFFAOYSA-N
XLogP1.57
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24667058
N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41358567
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55705641
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36928944
N-(2,5-dimethylphenyl)sulfonyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 78884658
4-pyrrolidin-1-ylsulfonyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]benzohydrazide
CID 41331831
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678
4-(difluoromethylsulfonyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 56815183
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31521049

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 138047181) is N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NS(=O)(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is LRQLSLFFGNJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-14(11(2)20(3)18-10)9-16(21)19-24(22,23)13-4-5-15-12(8-13)6-7-17-15/h4-8,17H,9H2,1-3H3,(H,19,21).
What are the key properties of N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylsulfonyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 138047181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).