N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide

C15H14BrN5OS2 — CID 46649990

IUPACN-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(Sc1nnnn1Cc1cccs1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrN5OS2/c1-10(14(22)17-12-5-2-4-11(16)8-12)24-15-18-19-20-21(15)9-13-6-3-7-23-13/h2-8,10H,9H2,1H3,(H,17,22)
InChIKeyFPOLOSIVOPGVHH-UHFFFAOYSA-N
MW424.35 g/mol
LogP3.66
Rot. Bonds6

About N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide

N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 46649990) has the molecular formula C15H14BrN5OS2 and a molecular weight of 424.35 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID46649990
Molecular FormulaC15H14BrN5OS2
Molecular Weight424.35 g/mol
Exact Mass422.98
IUPAC NameN-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(Sc1nnnn1Cc1cccs1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrN5OS2/c1-10(14(22)17-12-5-2-4-11(16)8-12)24-15-18-19-20-21(15)9-13-6-3-7-23-13/h2-8,10H,9H2,1H3,(H,17,22)
InChIKeyFPOLOSIVOPGVHH-UHFFFAOYSA-N
XLogP3.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51244536
(2R)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 36987635
N-(2-bromo-4-methylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46639627
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 41229890
N-prop-2-ynyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 47145688
2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
CID 46639630
(2S)-N-(3,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41183094
(2R)-N-(3,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41183093
(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
CID 41260469
N-[(4-chlorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51244571
N-[(2-fluorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 86919369
(2S)-N-(4-methylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41182860

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide (CID 46649990) is N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide is CC(Sc1nnnn1Cc1cccs1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is FPOLOSIVOPGVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5OS2/c1-10(14(22)17-12-5-2-4-11(16)8-12)24-15-18-19-20-21(15)9-13-6-3-7-23-13/h2-8,10H,9H2,1H3,(H,17,22).
What are the key properties of N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide?
N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 424.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 46649990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).