2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide

C17H17N5O2S — CID 2999605

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
SMILESCC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H17N5O2S/c1-12(25-17-19-20-21-22(17)2)16(23)18-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,23)
InChIKeyLQLUHCIVKJWMGE-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.12
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide (PubChem CID 2999605) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
PubChem CID2999605
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
SMILESCC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H17N5O2S/c1-12(25-17-19-20-21-22(17)2)16(23)18-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,23)
InChIKeyLQLUHCIVKJWMGE-UHFFFAOYSA-N
XLogP3.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861219
Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
(4S)-4-amino-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)pentanamide
CID 24901641
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 707638
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2352685
2-[(1-Cyclopentyl-1,2,3,4-tetrazol-5-YL)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 3228979
2-[(2E)-2-[(4-Ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-YL]-N-phenylacetamide
CID 135472706

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide (CID 2999605) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide is CC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The InChIKey is LQLUHCIVKJWMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-12(25-17-19-20-21-22(17)2)16(23)18-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,23).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide has a molecular weight of 355.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 2999605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).