N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide

C17H22BrN5OS — CID 24521893

IUPACN-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C17H22BrN5OS/c1-22(11-13-7-5-6-10-15(13)18)16(24)12-25-17-19-20-21-23(17)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3
InChIKeyWDCGOTHCACSPQB-UHFFFAOYSA-N
MW424.37 g/mol
LogP3.69
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide (PubChem CID 24521893) has the molecular formula C17H22BrN5OS and a molecular weight of 424.37 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
PubChem CID24521893
Molecular FormulaC17H22BrN5OS
Molecular Weight424.37 g/mol
Exact Mass423.07
IUPAC NameN-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C17H22BrN5OS/c1-22(11-13-7-5-6-10-15(13)18)16(24)12-25-17-19-20-21-23(17)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3
InChIKeyWDCGOTHCACSPQB-UHFFFAOYSA-N
XLogP3.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134002877
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 43053428
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 43053844
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 46639205
N-[(2-bromophenyl)methyl]-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 42161060
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 39681179
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27094394
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 24522843
N-[(2-bromophenyl)methyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 42069056
N-[(2-bromophenyl)methyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 16509704
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide (CID 24521893) is N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide is CN(Cc1ccccc1Br)C(=O)CSc1nnnn1C1CCCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide?
The InChIKey is WDCGOTHCACSPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5OS/c1-22(11-13-7-5-6-10-15(13)18)16(24)12-25-17-19-20-21-23(17)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide has a molecular weight of 424.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 24521893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).