4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide

C14H18FN5OS — CID 99604817

IUPAC4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESCSCc1cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)ccc1F
InChIInChI=1S/C14H18FN5OS/c1-9(13-16-18-19-17-13)7-20(2)14(21)10-4-5-12(15)11(6-10)8-22-3/h4-6,9H,7-8H2,1-3H3,(H,16,17,18,19)/t9-/m1/s1
InChIKeyJTMRNJZPFYGJTH-SECBINFHSA-N
MW323.40 g/mol
LogP2.08
Rot. Bonds6

About 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide

4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide (PubChem CID 99604817) has the molecular formula C14H18FN5OS and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
PubChem CID99604817
Molecular FormulaC14H18FN5OS
Molecular Weight323.40 g/mol
Exact Mass323.12
IUPAC Name4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESCSCc1cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)ccc1F
InChIInChI=1S/C14H18FN5OS/c1-9(13-16-18-19-17-13)7-20(2)14(21)10-4-5-12(15)11(6-10)8-22-3/h4-6,9H,7-8H2,1-3H3,(H,16,17,18,19)/t9-/m1/s1
InChIKeyJTMRNJZPFYGJTH-SECBINFHSA-N
XLogP2.08
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
CID 154753075
2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
CID 99605218
3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 99821384
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 86816453
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 99606683
2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99605001
4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
CID 126781844
N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 86798745
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99702664
4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 122147805
N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 111596727
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide (CID 99604817) is 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide is CSCc1cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)ccc1F.
What is the InChIKey of 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide?
The InChIKey is JTMRNJZPFYGJTH-SECBINFHSA-N. The full InChI is InChI=1S/C14H18FN5OS/c1-9(13-16-18-19-17-13)7-20(2)14(21)10-4-5-12(15)11(6-10)8-22-3/h4-6,9H,7-8H2,1-3H3,(H,16,17,18,19)/t9-/m1/s1.
What are the key properties of 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide?
4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 99604817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).