(2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide

C17H24N6O2S — CID 9382922

IUPAC(2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(-n2nnnc2S[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C17H24N6O2S/c1-10-7-8-13(9-11(10)2)23-16(20-21-22-23)26-12(3)14(24)18-15(25)19-17(4,5)6/h7-9,12H,1-6H3,(H2,18,19,24,25)/t12-/m1/s1
InChIKeyLKFFRGYTXGNTCC-GFCCVEGCSA-N
MW376.49 g/mol
LogP2.38
Rot. Bonds4

About (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide

(2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 9382922) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID9382922
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name(2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(-n2nnnc2S[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C17H24N6O2S/c1-10-7-8-13(9-11(10)2)23-16(20-21-22-23)26-12(3)14(24)18-15(25)19-17(4,5)6/h7-9,12H,1-6H3,(H2,18,19,24,25)/t12-/m1/s1
InChIKeyLKFFRGYTXGNTCC-GFCCVEGCSA-N
XLogP2.38
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9382921
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(tert-butylcarbamoyl)propanamide
CID 46572532
N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534560
N-(2,5-dimethylphenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500620
(2R)-N-(tert-butylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9461709
(2R)-N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7661558
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 9382876
(2S)-N-(2-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9382865
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)propan-1-one
CID 78519772
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7534634
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7661580

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 9382922) is (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1ccc(-n2nnnc2S[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1C.
What is the InChIKey of (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is LKFFRGYTXGNTCC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-10-7-8-13(9-11(10)2)23-16(20-21-22-23)26-12(3)14(24)18-15(25)19-17(4,5)6/h7-9,12H,1-6H3,(H2,18,19,24,25)/t12-/m1/s1.
What are the key properties of (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 376.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 9382922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).