N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H13N5OS — CID 2368202

IUPACN-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C11H13N5OS/c1-8-5-3-4-6-9(8)12-10(17)7-18-11-13-14-15-16(11)2/h3-6H,7H2,1-2H3,(H,12,17)
InChIKeyKRPCLZSEODQZMG-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.25
Rot. Bonds4

About N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2368202) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2368202
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C11H13N5OS/c1-8-5-3-4-6-9(8)12-10(17)7-18-11-13-14-15-16(11)2/h3-6H,7H2,1-2H3,(H,12,17)
InChIKeyKRPCLZSEODQZMG-UHFFFAOYSA-N
XLogP1.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 859344
1-(2,3-Dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 861216
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
N-(2-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 718726
2-[[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 973679
N-(3-Acetylamino-phenyl)-2-(1-benzyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644552
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-(3-Acetylamino-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647370
N-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2368202) is N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cc1ccccc1NC(=O)CSc1nnnn1C.
What is the InChIKey of N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KRPCLZSEODQZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-8-5-3-4-6-9(8)12-10(17)7-18-11-13-14-15-16(11)2/h3-6H,7H2,1-2H3,(H,12,17).
What are the key properties of N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 263.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2368202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).