N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide

C14H16N6O3S — CID 112527152

IUPACN-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCc1c(N)c2ccccc2n1C(=O)Cn1ncc(NS(C)(=O)=O)n1
InChIInChI=1S/C14H16N6O3S/c1-9-14(15)10-5-3-4-6-11(10)20(9)13(21)8-19-16-7-12(17-19)18-24(2,22)23/h3-7H,8,15H2,1-2H3,(H,17,18)
InChIKeyIUQHFMGQTCRCQF-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.84
Rot. Bonds4

About N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide

N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (PubChem CID 112527152) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
PubChem CID112527152
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC NameN-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCc1c(N)c2ccccc2n1C(=O)Cn1ncc(NS(C)(=O)=O)n1
InChIInChI=1S/C14H16N6O3S/c1-9-14(15)10-5-3-4-6-11(10)20(9)13(21)8-19-16-7-12(17-19)18-24(2,22)23/h3-7H,8,15H2,1-2H3,(H,17,18)
InChIKeyIUQHFMGQTCRCQF-UHFFFAOYSA-N
XLogP0.84
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-(5-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527421
N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112531411
2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 112522307
2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 112529256
ethyl N-[1-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527158
N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522586
N-(2,4-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522883
N-[2-[2-(5-amino-2-methylbenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112527657
1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone
CID 112528013
methyl 1-[2-[4-(methanesulfonamido)triazol-2-yl]acetyl]piperidine-2-carboxylate
CID 112531575
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365
N-[2-[2-(7-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112526809

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (CID 112527152) is N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is Cc1c(N)c2ccccc2n1C(=O)Cn1ncc(NS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The InChIKey is IUQHFMGQTCRCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-9-14(15)10-5-3-4-6-11(10)20(9)13(21)8-19-16-7-12(17-19)18-24(2,22)23/h3-7H,8,15H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide has a molecular weight of 348.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112527152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).