N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide

C9H9N5OS — CID 54074101

IUPACN-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Sc2nn[nH]n2)c1
InChIInChI=1S/C9H9N5OS/c1-6(15)10-7-3-2-4-8(5-7)16-9-11-13-14-12-9/h2-5H,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyMIMNASBFYLDTKP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.31
Rot. Bonds3

About N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide

N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide (PubChem CID 54074101) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide
PubChem CID54074101
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC NameN-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Sc2nn[nH]n2)c1
InChIInChI=1S/C9H9N5OS/c1-6(15)10-7-3-2-4-8(5-7)16-9-11-13-14-12-9/h2-5H,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyMIMNASBFYLDTKP-UHFFFAOYSA-N
XLogP1.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(carbamoylamino)sulfanylphenyl]acetamide
CID 174313236
N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499506
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
N-[3-(diaminomethylideneamino)phenyl]acetamide;hydrochloride
CID 91619584
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
3-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 64525790
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299396
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide (CID 54074101) is N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide is CC(=O)Nc1cccc(Sc2nn[nH]n2)c1.
What is the InChIKey of N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide?
The InChIKey is MIMNASBFYLDTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c1-6(15)10-7-3-2-4-8(5-7)16-9-11-13-14-12-9/h2-5H,1H3,(H,10,15)(H,11,12,13,14).
What are the key properties of N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide?
N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide has a molecular weight of 235.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 54074101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).