(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide

C14H18N6O2S — CID 9274512

IUPAC(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C14H18N6O2S/c1-9(2)15-13(22)16-12(21)10(3)23-14-17-18-19-20(14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,21,22)/t10-/m1/s1
InChIKeyQRMKQTZLBUUZJW-SNVBAGLBSA-N
MW334.41 g/mol
LogP1.38
Rot. Bonds5

About (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide

(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 9274512) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID9274512
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1
InChIInChI=1S/C14H18N6O2S/c1-9(2)15-13(22)16-12(21)10(3)23-14-17-18-19-20(14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,21,22)/t10-/m1/s1
InChIKeyQRMKQTZLBUUZJW-SNVBAGLBSA-N
XLogP1.38
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
(2S)-N-(2-methoxyethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274391
(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 134037851
N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51183645
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 16569702
(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762424
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7465434
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762411
N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 3574174

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide (CID 9274512) is (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide is CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1.
What is the InChIKey of (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is QRMKQTZLBUUZJW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-9(2)15-13(22)16-12(21)10(3)23-14-17-18-19-20(14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide?
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 334.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 9274512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).