5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide

C17H16N4O3S2 — CID 129381899

IUPAC5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCc2ncnn2C1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C17H16N4O3S2/c22-17(20-12-6-8-15-18-11-19-21(15)10-12)14-7-9-16(25-14)26(23,24)13-4-2-1-3-5-13/h1-5,7,9,11-12H,6,8,10H2,(H,20,22)/t12-/m1/s1
InChIKeyXBPIUROBRMKRHY-GFCCVEGCSA-N
MW388.47 g/mol
LogP1.92
Rot. Bonds4

About 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide

5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide (PubChem CID 129381899) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
PubChem CID129381899
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCc2ncnn2C1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C17H16N4O3S2/c22-17(20-12-6-8-15-18-11-19-21(15)10-12)14-7-9-16(25-14)26(23,24)13-4-2-1-3-5-13/h1-5,7,9,11-12H,6,8,10H2,(H,20,22)/t12-/m1/s1
InChIKeyXBPIUROBRMKRHY-GFCCVEGCSA-N
XLogP1.92
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126783508
(6R)-N-[3-(benzenesulfonyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340760
5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide
CID 53124624
3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126782451
1-(2,2-difluoro-1-phenylethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 127265980
2-(azepan-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
CID 127374124
1-(3-phenyl-1,2-thiazol-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126831651
2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
CID 126767732
1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119572631
1-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124559551
5-(4-fluorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-2-carboxamide
CID 126767615

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide (CID 129381899) is 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide is O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide?
The InChIKey is XBPIUROBRMKRHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c22-17(20-12-6-8-15-18-11-19-21(15)10-12)14-7-9-16(25-14)26(23,24)13-4-2-1-3-5-13/h1-5,7,9,11-12H,6,8,10H2,(H,20,22)/t12-/m1/s1.
What are the key properties of 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide?
5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 129381899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).