N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C16H21N5OS — CID 2999647

IUPACN-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21N5OS/c1-20(13-8-4-2-5-9-13)15(22)12-23-16-17-18-19-21(16)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3
InChIKeyOMERTMMDRJQIJW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.55
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2999647) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2999647
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21N5OS/c1-20(13-8-4-2-5-9-13)15(22)12-23-16-17-18-19-21(16)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3
InChIKeyOMERTMMDRJQIJW-UHFFFAOYSA-N
XLogP2.55
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
CID 2949820
Stk291648
CID 4424052
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
N-methyl-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408253
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2999647) is N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is OMERTMMDRJQIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-20(13-8-4-2-5-9-13)15(22)12-23-16-17-18-19-21(16)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2999647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).