2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide

C22H25N5OS — CID 9450800

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H25N5OS/c28-21(27(19-12-6-2-7-13-19)20-14-8-3-9-15-20)17-29-22-23-24-25-26(22)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKeyOIZMTVZAGWYRHA-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.18
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide (PubChem CID 9450800) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide
PubChem CID9450800
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H25N5OS/c28-21(27(19-12-6-2-7-13-19)20-14-8-3-9-15-20)17-29-22-23-24-25-26(22)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKeyOIZMTVZAGWYRHA-UHFFFAOYSA-N
XLogP4.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
CID 7977553
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-(1-benzyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 17392960
N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 16518606
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
CID 7300163
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 9440891
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 41132958
2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 42041421
N-cyclohexyl-2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 16586907
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 35301691
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide (CID 9450800) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide is O=C(CSc1nnnn1Cc1ccccc1)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide?
The InChIKey is OIZMTVZAGWYRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c28-21(27(19-12-6-2-7-13-19)20-14-8-3-9-15-20)17-29-22-23-24-25-26(22)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20H,3,8-9,14-17H2.
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide has a molecular weight of 407.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide is sourced from PubChem (CID 9450800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).