N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide

C19H25Cl2N5O2S — CID 25466393

IUPACN-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
SMILESCCC[C@@H](CNC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H25Cl2N5O2S/c1-2-4-13(16-7-6-14(20)9-17(16)21)10-22-18(27)12-29-19-23-24-25-26(19)11-15-5-3-8-28-15/h6-7,9,13,15H,2-5,8,10-12H2,1H3,(H,22,27)/t13-,15-/m0/s1
InChIKeyZOGMYPTXNMMMEE-ZFWWWQNUSA-N
MW458.42 g/mol
LogP3.95
Rot. Bonds10

About N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide

N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 25466393) has the molecular formula C19H25Cl2N5O2S and a molecular weight of 458.42 g/mol. Its IUPAC name is N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID25466393
Molecular FormulaC19H25Cl2N5O2S
Molecular Weight458.42 g/mol
Exact Mass457.11
IUPAC NameN-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
SMILESCCC[C@@H](CNC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H25Cl2N5O2S/c1-2-4-13(16-7-6-14(20)9-17(16)21)10-22-18(27)12-29-19-23-24-25-26(19)11-15-5-3-8-28-15/h6-7,9,13,15H,2-5,8,10-12H2,1H3,(H,22,27)/t13-,15-/m0/s1
InChIKeyZOGMYPTXNMMMEE-ZFWWWQNUSA-N
XLogP3.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259132
N-(2,5-dichlorophenyl)-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 42887779
N-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51240238
N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46445394
5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 146087102
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259136
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide
CID 40794964
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
N-(3-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259127
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9454076
1-(5-chloro-1-benzofuran-2-yl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 25481626

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide (CID 25466393) is N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide is CCC[C@@H](CNC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ZOGMYPTXNMMMEE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H25Cl2N5O2S/c1-2-4-13(16-7-6-14(20)9-17(16)21)10-22-18(27)12-29-19-23-24-25-26(19)11-15-5-3-8-28-15/h6-7,9,13,15H,2-5,8,10-12H2,1H3,(H,22,27)/t13-,15-/m0/s1.
What are the key properties of N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide?
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 458.42 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 25466393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).