N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide

C17H19N5O4S — CID 23474131

IUPACN-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](C)c1nnc2ccccn12
InChIInChI=1S/C17H19N5O4S/c1-11(17-20-19-16-6-4-5-9-22(16)17)21-27(24,25)15-10-13(18-12(2)23)7-8-14(15)26-3/h4-11,21H,1-3H3,(H,18,23)/t11-/m0/s1
InChIKeyZKCLEAMRDOEVSX-NSHDSACASA-N
MW389.44 g/mol
LogP1.74
Rot. Bonds6

About N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide

N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 23474131) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide
PubChem CID23474131
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](C)c1nnc2ccccn12
InChIInChI=1S/C17H19N5O4S/c1-11(17-20-19-16-6-4-5-9-22(16)17)21-27(24,25)15-10-13(18-12(2)23)7-8-14(15)26-3/h4-11,21H,1-3H3,(H,18,23)/t11-/m0/s1
InChIKeyZKCLEAMRDOEVSX-NSHDSACASA-N
XLogP1.74
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide
CID 9453359
3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid
CID 23474125
N-(5-acetamido-2-methoxyphenyl)sulfonyl-2-methoxybenzamide
CID 75401840
3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 75357118
4-methoxy-3-nitro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247677
1,3,5-trimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-sulfonamide
CID 78820595
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide
CID 55465509
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919862
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[4-methoxy-3-(1,2-oxazol-3-ylsulfamoyl)phenyl]acetamide
CID 51699029
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 167948439

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide (CID 23474131) is N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide is COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](C)c1nnc2ccccn12.
What is the InChIKey of N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is ZKCLEAMRDOEVSX-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-11(17-20-19-16-6-4-5-9-22(16)17)21-27(24,25)15-10-13(18-12(2)23)7-8-14(15)26-3/h4-11,21H,1-3H3,(H,18,23)/t11-/m0/s1.
What are the key properties of N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide?
N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 389.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 23474131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).