1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole

C14H21N5O4S — CID 121077928

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole
SMILESCOc1ccc(-c2nn(CCNS(=O)(=O)N(C)C)c(=O)n2C)cc1
InChIInChI=1S/C14H21N5O4S/c1-17(2)24(21,22)15-9-10-19-14(20)18(3)13(16-19)11-5-7-12(23-4)8-6-11/h5-8,15H,9-10H2,1-4H3
InChIKeyQKGUTHWZCDBGBZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.35
Rot. Bonds7

About 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole

1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole (PubChem CID 121077928) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole
PubChem CID121077928
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole
SMILESCOc1ccc(-c2nn(CCNS(=O)(=O)N(C)C)c(=O)n2C)cc1
InChIInChI=1S/C14H21N5O4S/c1-17(2)24(21,22)15-9-10-19-14(20)18(3)13(16-19)11-5-7-12(23-4)8-6-11/h5-8,15H,9-10H2,1-4H3
InChIKeyQKGUTHWZCDBGBZ-UHFFFAOYSA-N
XLogP-0.35
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 121077844
3-[1-[2-(dimethylsulfamoylamino)ethyl]-4-methyl-5-oxo-1,2,4-triazol-3-yl]pyridine
CID 121077991
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide
CID 121078640
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078641
1-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121078039
3,4-difluoro-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078621
(E)-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-phenylprop-2-enamide
CID 121078617
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121078614
2,5-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121077960
4-chloro-N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]benzenesulfonamide
CID 121077860
2,4-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121117846
1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
CID 110288832

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole (CID 121077928) is 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole is COc1ccc(-c2nn(CCNS(=O)(=O)N(C)C)c(=O)n2C)cc1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole?
The InChIKey is QKGUTHWZCDBGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-17(2)24(21,22)15-9-10-19-14(20)18(3)13(16-19)11-5-7-12(23-4)8-6-11/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole?
1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole has a molecular weight of 355.42 g/mol, XLogP of -0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole is sourced from PubChem (CID 121077928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).