N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

C19H20FN5O3S — CID 60567471

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCC(C)C(C(=O)Nc1cc(S(C)(=O)=O)ccc1F)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C19H20FN5O3S/c1-12(2)17(25-23-18(22-24-25)13-7-5-4-6-8-13)19(26)21-16-11-14(29(3,27)28)9-10-15(16)20/h4-12,17H,1-3H3,(H,21,26)
InChIKeyOXWWWZMEOAYVJC-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.72
Rot. Bonds6

About N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 60567471) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
PubChem CID60567471
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCC(C)C(C(=O)Nc1cc(S(C)(=O)=O)ccc1F)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C19H20FN5O3S/c1-12(2)17(25-23-18(22-24-25)13-7-5-4-6-8-13)19(26)21-16-11-14(29(3,27)28)9-10-15(16)20/h4-12,17H,1-3H3,(H,21,26)
InChIKeyOXWWWZMEOAYVJC-UHFFFAOYSA-N
XLogP2.72
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 60564561
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
N-(2-methoxy-5-nitrophenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 47069830
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803
3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 9353497
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638
2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide
CID 43708238
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 120882213

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (CID 60567471) is N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide is CC(C)C(C(=O)Nc1cc(S(C)(=O)=O)ccc1F)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is OXWWWZMEOAYVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-12(2)17(25-23-18(22-24-25)13-7-5-4-6-8-13)19(26)21-16-11-14(29(3,27)28)9-10-15(16)20/h4-12,17H,1-3H3,(H,21,26).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 417.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 60567471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).