(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

C15H20N6O2S — CID 40804725

IUPAC(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCC(C)n1nnnc1S[C@H](C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C15H20N6O2S/c1-10(2)21-15(18-19-20-21)24-11(3)13(22)17-14(23)16-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,16,17,22,23)/t11-/m1/s1
InChIKeyFJOZAPHMIDUZAZ-LLVKDONJSA-N
MW348.43 g/mol
LogP1.76
Rot. Bonds6

About (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (PubChem CID 40804725) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
PubChem CID40804725
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCC(C)n1nnnc1S[C@H](C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C15H20N6O2S/c1-10(2)21-15(18-19-20-21)24-11(3)13(22)17-14(23)16-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,16,17,22,23)/t11-/m1/s1
InChIKeyFJOZAPHMIDUZAZ-LLVKDONJSA-N
XLogP1.76
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide 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

(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 46682398
(2R)-N-[(4-methylphenyl)methyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 27139796
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665651
N-(benzylcarbamoyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51236143
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706
N-(benzylcarbamoyl)-2-methylsulfanylpropanamide
CID 47263081
(2S)-N-(benzylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8957979
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
(2R)-N-(benzylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 8985972
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 24520234

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (CID 40804725) is (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is CC(C)n1nnnc1S[C@H](C)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is FJOZAPHMIDUZAZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-10(2)21-15(18-19-20-21)24-11(3)13(22)17-14(23)16-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,16,17,22,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 348.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 40804725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).