2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide

C16H17N7O3S — CID 137499710

IUPAC2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
SMILESCc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCC(N)=O)cc3)n2)nc1
InChIInChI=1S/C16H17N7O3S/c1-11-2-5-13(18-8-11)10-23-21-16(20-22-23)12-3-6-14(7-4-12)27(25,26)19-9-15(17)24/h2-8,19H,9-10H2,1H3,(H2,17,24)
InChIKeyJHPJXOSXNWTEDA-UHFFFAOYSA-N
MW387.43 g/mol
LogP-0.14
Rot. Bonds7

About 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide

2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide (PubChem CID 137499710) has the molecular formula C16H17N7O3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
PubChem CID137499710
Molecular FormulaC16H17N7O3S
Molecular Weight387.43 g/mol
Exact Mass387.11
IUPAC Name2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
SMILESCc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCC(N)=O)cc3)n2)nc1
InChIInChI=1S/C16H17N7O3S/c1-11-2-5-13(18-8-11)10-23-21-16(20-22-23)12-3-6-14(7-4-12)27(25,26)19-9-15(17)24/h2-8,19H,9-10H2,1H3,(H2,17,24)
InChIKeyJHPJXOSXNWTEDA-UHFFFAOYSA-N
XLogP-0.14
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
(2R)-N-[(4-(18F)fluoro-2-pyridinyl)methyl]-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 155521368
4-cyano-N-(pyridin-2-ylmethyl)-N-[4-(2H-tetrazol-5-yl)benzyl]benzenesulfonamide
CID 46891424
N-Phenethyl-2-(5-pyridin-4-yl-tetrazol-2-yl)-acetamide
CID 645676
2-{5-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-tetrazol-2-yl}-N-(2-pyrrol-1-yl-phenyl)-acetamide
CID 654426
2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-N'-[(Z)-pyridin-2-ylmethylidene]acetohydrazide
CID 5552315
1-(4-methylphenyl)sulfonyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide
CID 9743837
N1-(pyridin-2-ylmethyl)-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 16829863
N-(2-hydroxyethyl)-4-[2-(3-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499675
N-(2-hydroxyethyl)-4-[2-[(6-methyl-2-pyridyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 137499684
2,6-difluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499704
4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methyl-benzenesulfonamide
CID 137499713

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide (CID 137499710) is 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide is Cc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCC(N)=O)cc3)n2)nc1.
What is the InChIKey of 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
The InChIKey is JHPJXOSXNWTEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3S/c1-11-2-5-13(18-8-11)10-23-21-16(20-22-23)12-3-6-14(7-4-12)27(25,26)19-9-15(17)24/h2-8,19H,9-10H2,1H3,(H2,17,24).
What are the key properties of 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide?
2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide has a molecular weight of 387.43 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[(5-methyl-2-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 137499710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).