N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C15H18ClN5O2S — CID 51259132

IUPACN-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(Cl)ccc1NC(=O)CSc1nnnn1CC1CCCO1
InChIInChI=1S/C15H18ClN5O2S/c1-10-7-11(16)4-5-13(10)17-14(22)9-24-15-18-19-20-21(15)8-12-3-2-6-23-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,22)
InChIKeyRCAHTHNWJNEBGR-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.54
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 51259132) has the molecular formula C15H18ClN5O2S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID51259132
Molecular FormulaC15H18ClN5O2S
Molecular Weight367.86 g/mol
Exact Mass367.09
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(Cl)ccc1NC(=O)CSc1nnnn1CC1CCCO1
InChIInChI=1S/C15H18ClN5O2S/c1-10-7-11(16)4-5-13(10)17-14(22)9-24-15-18-19-20-21(15)8-12-3-2-6-23-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,22)
InChIKeyRCAHTHNWJNEBGR-UHFFFAOYSA-N
XLogP2.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dichlorophenyl)-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 42887779
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259136
N-(2,6-dimethylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259079
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 51259109
5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 146087102
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 25466393
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9454076
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 46640384
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9450458
N-(2-fluorophenyl)-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 43052771
1-(5-chloro-1-benzofuran-2-yl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 25481626
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 51259132) is N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is Cc1cc(Cl)ccc1NC(=O)CSc1nnnn1CC1CCCO1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RCAHTHNWJNEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2S/c1-10-7-11(16)4-5-13(10)17-14(22)9-24-15-18-19-20-21(15)8-12-3-2-6-23-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 367.86 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 51259132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).