N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C17H23N5OS — CID 132897669

IUPACN-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCn1nnnc1SC(C(=O)NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H23N5OS/c1-22-17(19-20-21-22)24-15(13-9-5-4-6-10-13)16(23)18-14-11-7-2-3-8-12-14/h4-6,9-10,14-15H,2-3,7-8,11-12H2,1H3,(H,18,23)
InChIKeyPFEHLHCXVBXWOD-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.88
Rot. Bonds5

About N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 132897669) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID132897669
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCn1nnnc1SC(C(=O)NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H23N5OS/c1-22-17(19-20-21-22)24-15(13-9-5-4-6-10-13)16(23)18-14-11-7-2-3-8-12-14/h4-6,9-10,14-15H,2-3,7-8,11-12H2,1H3,(H,18,23)
InChIKeyPFEHLHCXVBXWOD-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210204
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 46640476
(2S)-N-cyclopropyl-2-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8915841
N-cyclopropyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51202919
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210281
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide
CID 51280082
(2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide
CID 8600886
(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036780
(2R)-N-cyclopropyl-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036976
N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 134717169
(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 26387733
N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46639465

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 132897669) is N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is Cn1nnnc1SC(C(=O)NC1CCCCCC1)c1ccccc1.
What is the InChIKey of N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is PFEHLHCXVBXWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-22-17(19-20-21-22)24-15(13-9-5-4-6-10-13)16(23)18-14-11-7-2-3-8-12-14/h4-6,9-10,14-15H,2-3,7-8,11-12H2,1H3,(H,18,23).
What are the key properties of N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 132897669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).