N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide

C14H19ClN6OS — CID 55836118

IUPACN-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1nnnn1CCN(C)C
InChIInChI=1S/C14H19ClN6OS/c1-10-11(15)5-4-6-12(10)16-13(22)9-23-14-17-18-19-21(14)8-7-20(2)3/h4-6H,7-9H2,1-3H3,(H,16,22)
InChIKeyWXGBMZAYNFTUOA-UHFFFAOYSA-N
MW354.87 g/mol
LogP1.93
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide

N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 55836118) has the molecular formula C14H19ClN6OS and a molecular weight of 354.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID55836118
Molecular FormulaC14H19ClN6OS
Molecular Weight354.87 g/mol
Exact Mass354.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1nnnn1CCN(C)C
InChIInChI=1S/C14H19ClN6OS/c1-10-11(15)5-4-6-12(10)16-13(22)9-23-14-17-18-19-21(14)8-7-20(2)3/h4-6H,7-9H2,1-3H3,(H,16,22)
InChIKeyWXGBMZAYNFTUOA-UHFFFAOYSA-N
XLogP1.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.87
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
2-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-chlorophenyl)acetamide
CID 4555270
N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 1206536
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 2485543
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 2590734
N-(3-chloro-2-methylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4222281
N-(3-chloro-2-methylphenyl)-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3932984
2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 2460888
N-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428369
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
N-(3-chloro-2-methylphenyl)-2-[[4-methyl-5-[1-(2-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19635811

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide (CID 55836118) is N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide is Cc1c(Cl)cccc1NC(=O)CSc1nnnn1CCN(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is WXGBMZAYNFTUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6OS/c1-10-11(15)5-4-6-12(10)16-13(22)9-23-14-17-18-19-21(14)8-7-20(2)3/h4-6H,7-9H2,1-3H3,(H,16,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide?
N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 354.87 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 55836118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).