N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C18H27N5OS — CID 55398072

IUPACN-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC(C)CCCC(C)C)cc1
InChIInChI=1S/C18H27N5OS/c1-13(2)6-5-7-15(4)19-17(24)12-25-18-20-21-22-23(18)16-10-8-14(3)9-11-16/h8-11,13,15H,5-7,12H2,1-4H3,(H,19,24)
InChIKeyKYZOGAHQQVVYHV-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.39
Rot. Bonds9

About N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 55398072) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID55398072
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC NameN-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC(C)CCCC(C)C)cc1
InChIInChI=1S/C18H27N5OS/c1-13(2)6-5-7-15(4)19-17(24)12-25-18-20-21-22-23(18)16-10-8-14(3)9-11-16/h8-11,13,15H,5-7,12H2,1-4H3,(H,19,24)
InChIKeyKYZOGAHQQVVYHV-UHFFFAOYSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-5-methylhexan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684772
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 9073912
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 51214971
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9407683
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2615618
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 51215442
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2696351
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615701
N-butan-2-yl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46677048
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2524493
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 16539106

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 55398072) is N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)NC(C)CCCC(C)C)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KYZOGAHQQVVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-13(2)6-5-7-15(4)19-17(24)12-25-18-20-21-22-23(18)16-10-8-14(3)9-11-16/h8-11,13,15H,5-7,12H2,1-4H3,(H,19,24).
What are the key properties of N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 361.52 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 55398072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).