3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

C17H16FN5OS — CID 36722357

IUPAC3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1-n1cnnn1
InChIInChI=1S/C17H16FN5OS/c1-12-10-14(4-7-16(12)23-11-19-21-22-23)20-17(24)8-9-25-15-5-2-13(18)3-6-15/h2-7,10-11H,8-9H2,1H3,(H,20,24)
InChIKeyKKWYSZLADICPFN-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.23
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 36722357) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID36722357
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1-n1cnnn1
InChIInChI=1S/C17H16FN5OS/c1-12-10-14(4-7-16(12)23-11-19-21-22-23)20-17(24)8-9-25-15-5-2-13(18)3-6-15/h2-7,10-11H,8-9H2,1H3,(H,20,24)
InChIKeyKKWYSZLADICPFN-UHFFFAOYSA-N
XLogP3.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 134044071
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (CID 36722357) is 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is Cc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1-n1cnnn1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is KKWYSZLADICPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-12-10-14(4-7-16(12)23-11-19-21-22-23)20-17(24)8-9-25-15-5-2-13(18)3-6-15/h2-7,10-11H,8-9H2,1H3,(H,20,24).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 36722357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).