2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide

C19H19N5O2S — CID 31372285

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H19N5O2S/c25-16-8-6-15(7-9-16)24-18(21-22-23-24)27-12-17(26)20-13-19(10-11-19)14-4-2-1-3-5-14/h1-9,25H,10-13H2,(H,20,26)
InChIKeyWGGIKQDLMVVGSA-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.31
Rot. Bonds7

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 31372285) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID31372285
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H19N5O2S/c25-16-8-6-15(7-9-16)24-18(21-22-23-24)27-12-17(26)20-13-19(10-11-19)14-4-2-1-3-5-14/h1-9,25H,10-13H2,(H,20,26)
InChIKeyWGGIKQDLMVVGSA-UHFFFAOYSA-N
XLogP2.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 35493834
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55541677
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 30422085
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2524493
N-(2,6-dichlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814771
3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51126582
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9438459
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 4042963
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 35987244
N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 31372285) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide is O=C(CSc1nnnn1-c1ccc(O)cc1)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is WGGIKQDLMVVGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-16-8-6-15(7-9-16)24-18(21-22-23-24)27-12-17(26)20-13-19(10-11-19)14-4-2-1-3-5-14/h1-9,25H,10-13H2,(H,20,26).
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 31372285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).