N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C13H17N5O3S2 — CID 3451317

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nncn2C)c1
InChIInChI=1S/C13H17N5O3S2/c1-17(2)23(20,21)11-6-4-5-10(7-11)15-12(19)8-22-13-16-14-9-18(13)3/h4-7,9H,8H2,1-3H3,(H,15,19)
InChIKeyPDGVJPNJGHVWGC-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.80
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 3451317) has the molecular formula C13H17N5O3S2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID3451317
Molecular FormulaC13H17N5O3S2
Molecular Weight355.45 g/mol
Exact Mass355.08
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nncn2C)c1
InChIInChI=1S/C13H17N5O3S2/c1-17(2)23(20,21)11-6-4-5-10(7-11)15-12(19)8-22-13-16-14-9-18(13)3/h4-7,9H,8H2,1-3H3,(H,15,19)
InChIKeyPDGVJPNJGHVWGC-UHFFFAOYSA-N
XLogP0.80
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3919132
N-(2,4-difluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 703294
N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 701400
Cambridge id 6259403
CID 738845
N-{4-[(4H-1,2,4-triazol-4-ylamino)sulfonyl]phenyl}acetamide
CID 854429
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2343526
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2467951
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3928078
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4107072
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4145244

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 3451317) is N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nncn2C)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is PDGVJPNJGHVWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S2/c1-17(2)23(20,21)11-6-4-5-10(7-11)15-12(19)8-22-13-16-14-9-18(13)3/h4-7,9H,8H2,1-3H3,(H,15,19).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 355.45 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 3451317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).