N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H14FN5OS — CID 74510508

IUPACN-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nnnn2C)cc1F
InChIInChI=1S/C12H14FN5OS/c1-7-4-5-9(6-10(7)13)14-11(19)8(2)20-12-15-16-17-18(12)3/h4-6,8H,1-3H3,(H,14,19)
InChIKeyZISRZQLZVQGLNG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.78
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 74510508) has the molecular formula C12H14FN5OS and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID74510508
Molecular FormulaC12H14FN5OS
Molecular Weight295.34 g/mol
Exact Mass295.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nnnn2C)cc1F
InChIInChI=1S/C12H14FN5OS/c1-7-4-5-9(6-10(7)13)14-11(19)8(2)20-12-15-16-17-18(12)3/h4-6,8H,1-3H3,(H,14,19)
InChIKeyZISRZQLZVQGLNG-UHFFFAOYSA-N
XLogP1.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.78
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
N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
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
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-(2,4-difluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 703294
N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 701400
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
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-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 74510508) is N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is Cc1ccc(NC(=O)C(C)Sc2nnnn2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is ZISRZQLZVQGLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5OS/c1-7-4-5-9(6-10(7)13)14-11(19)8(2)20-12-15-16-17-18(12)3/h4-6,8H,1-3H3,(H,14,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 295.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 74510508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).