(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H13FN6O2S — CID 32709626

IUPAC(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1C)C(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C12H13FN6O2S/c1-7(22-12-16-17-18-19(12)2)10(20)15-11(21)14-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H2,14,15,20,21)/t7-/m1/s1
InChIKeyOLEMZJCAOZPDGB-SSDOTTSWSA-N
MW324.34 g/mol
LogP1.18
Rot. Bonds4

About (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 32709626) has the molecular formula C12H13FN6O2S and a molecular weight of 324.34 g/mol. Its IUPAC name is (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID32709626
Molecular FormulaC12H13FN6O2S
Molecular Weight324.34 g/mol
Exact Mass324.08
IUPAC Name(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1C)C(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C12H13FN6O2S/c1-7(22-12-16-17-18-19(12)2)10(20)15-11(21)14-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H2,14,15,20,21)/t7-/m1/s1
InChIKeyOLEMZJCAOZPDGB-SSDOTTSWSA-N
XLogP1.18
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646697
(2R)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646698
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 32709495
N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 46682398
(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 129367933
(2R)-N-(2-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2460676
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
N-(2-fluorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4802783
N-(2-fluorophenyl)-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 42902744
N-(9,10-dioxoanthracen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 18281964
(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2630257

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 32709626) is (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is C[C@@H](Sc1nnnn1C)C(=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is OLEMZJCAOZPDGB-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13FN6O2S/c1-7(22-12-16-17-18-19(12)2)10(20)15-11(21)14-9-6-4-3-5-8(9)13/h3-7H,1-2H3,(H2,14,15,20,21)/t7-/m1/s1.
What are the key properties of (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 324.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 32709626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).