2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

C10H18BrN5O4S — CID 106467757

IUPAC2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H18BrN5O4S/c1-14(2)8(17)7-16(5-6-20-4)21(18,19)10-9(11)12-13-15(10)3/h5-7H2,1-4H3
InChIKeyNJYDBTKYCZWBQJ-UHFFFAOYSA-N
MW384.26 g/mol
LogP-0.70
Rot. Bonds7

About 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 106467757) has the molecular formula C10H18BrN5O4S and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID106467757
Molecular FormulaC10H18BrN5O4S
Molecular Weight384.26 g/mol
Exact Mass383.03
IUPAC Name2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H18BrN5O4S/c1-14(2)8(17)7-16(5-6-20-4)21(18,19)10-9(11)12-13-15(10)3/h5-7H2,1-4H3
InChIKeyNJYDBTKYCZWBQJ-UHFFFAOYSA-N
XLogP-0.70
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyltriazole-4-sulfonamide
CID 103354592
methyl 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-propylamino]acetate
CID 106467198
2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63980022
2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
CID 54877062
5-bromo-N-(2-chloro-3-methoxypropyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106468358
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106466016
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 106467501
3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 106468313
5-bromo-3-methyl-N-prop-2-enyl-N-propyltriazole-4-sulfonamide
CID 106468130
5-bromo-N-(2-cyanoethyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106466354
5-bromo-N-(4-methoxy-2,2-dimethylbutyl)-3-methyltriazole-4-sulfonamide
CID 103354677
5-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106898562

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 106467757) is 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is NJYDBTKYCZWBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN5O4S/c1-14(2)8(17)7-16(5-6-20-4)21(18,19)10-9(11)12-13-15(10)3/h5-7H2,1-4H3.
What are the key properties of 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 384.26 g/mol, XLogP of -0.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 106467757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).