N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide

C13H15Cl2N5O2S — CID 168742935

IUPACN-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide
SMILESCC(C)Oc1cc(NC(=O)CSCc2nn[nH]n2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N5O2S/c1-7(2)22-11-4-10(8(14)3-9(11)15)16-13(21)6-23-5-12-17-19-20-18-12/h3-4,7H,5-6H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyNHAWINQUQGOBJM-UHFFFAOYSA-N
MW376.27 g/mol
LogP3.17
Rot. Bonds7

About N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide

N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide (PubChem CID 168742935) has the molecular formula C13H15Cl2N5O2S and a molecular weight of 376.27 g/mol. Its IUPAC name is N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide
PubChem CID168742935
Molecular FormulaC13H15Cl2N5O2S
Molecular Weight376.27 g/mol
Exact Mass375.03
IUPAC NameN-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide
SMILESCC(C)Oc1cc(NC(=O)CSCc2nn[nH]n2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N5O2S/c1-7(2)22-11-4-10(8(14)3-9(11)15)16-13(21)6-23-5-12-17-19-20-18-12/h3-4,7H,5-6H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyNHAWINQUQGOBJM-UHFFFAOYSA-N
XLogP3.17
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499410
2-[2-(2,4-dichloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 1484176
5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid
CID 167518145
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide
CID 170923683
N-(2-chloro-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 16602984
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42085510
N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetamide
CID 2765564
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide
CID 122148587
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 55506036
2-[1-(2-chloro-4-ethyl-5-propan-2-yloxyanilino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 167518105

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide (CID 168742935) is N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide is CC(C)Oc1cc(NC(=O)CSCc2nn[nH]n2)c(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide?
The InChIKey is NHAWINQUQGOBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5O2S/c1-7(2)22-11-4-10(8(14)3-9(11)15)16-13(21)6-23-5-12-17-19-20-18-12/h3-4,7H,5-6H2,1-2H3,(H,16,21)(H,17,18,19,20).
What are the key properties of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide?
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide has a molecular weight of 376.27 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 168742935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).