2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide

C15H19FN6O2S — CID 17407700

IUPAC2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CSc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C15H19FN6O2S/c1-3-7-17-14(24)10(2)18-13(23)9-25-15-19-20-21-22(15)12-6-4-5-11(16)8-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,24)(H,18,23)
InChIKeyJZMFSIPWJABDNS-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.92
Rot. Bonds8

About 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide

2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide (PubChem CID 17407700) has the molecular formula C15H19FN6O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
PubChem CID17407700
Molecular FormulaC15H19FN6O2S
Molecular Weight366.42 g/mol
Exact Mass366.13
IUPAC Name2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CSc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C15H19FN6O2S/c1-3-7-17-14(24)10(2)18-13(23)9-25-15-19-20-21-22(15)12-6-4-5-11(16)8-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,24)(H,18,23)
InChIKeyJZMFSIPWJABDNS-UHFFFAOYSA-N
XLogP0.92
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 8977397
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylbutyl]acetamide
CID 7563038
(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
CID 94786814
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46677059
[(1S)-2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1-phenylethyl]-dimethylazanium
CID 7562998
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 46611991
propan-2-yl 4-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 7563027
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7562940
(2R)-2-[[2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propylpropanamide
CID 25329493
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide (CID 17407700) is 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)CSc1nnnn1-c1cccc(F)c1.
What is the InChIKey of 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide?
The InChIKey is JZMFSIPWJABDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2S/c1-3-7-17-14(24)10(2)18-13(23)9-25-15-19-20-21-22(15)12-6-4-5-11(16)8-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,24)(H,18,23).
What are the key properties of 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide?
2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide has a molecular weight of 366.42 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 17407700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).