N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C18H17N5O2S — CID 78812704

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC1CCOc2ccccc21
InChIInChI=1S/C18H17N5O2S/c24-17(19-15-10-11-25-16-9-5-4-8-14(15)16)12-26-18-20-21-22-23(18)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,19,24)
InChIKeyZBMSEXGVSJOXMB-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.39
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 78812704) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID78812704
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC1CCOc2ccccc21
InChIInChI=1S/C18H17N5O2S/c24-17(19-15-10-11-25-16-9-5-4-8-14(15)16)12-26-18-20-21-22-23(18)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,19,24)
InChIKeyZBMSEXGVSJOXMB-UHFFFAOYSA-N
XLogP2.39
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78789550
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 1357303
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 30803635
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 39967848
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 41036714
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17399471
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 17421944
N-cyclopentyl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide
CID 1175747
N-(3,4-dihydro-2H-chromen-4-yl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46606787
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 35056173
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 55371040

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 78812704) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZBMSEXGVSJOXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-17(19-15-10-11-25-16-9-5-4-8-14(15)16)12-26-18-20-21-22-23(18)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,19,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 367.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 78812704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).