2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide

C14H19Cl2NOS — CID 1486391

IUPAC2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H19Cl2NOS/c1-9(2)17(10(3)4)14(18)8-19-11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyXNGDFVOQRVIANT-UHFFFAOYSA-N
MW320.29 g/mol
LogP4.73
Rot. Bonds5

About 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide

2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 1486391) has the molecular formula C14H19Cl2NOS and a molecular weight of 320.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID1486391
Molecular FormulaC14H19Cl2NOS
Molecular Weight320.29 g/mol
Exact Mass319.06
IUPAC Name2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H19Cl2NOS/c1-9(2)17(10(3)4)14(18)8-19-11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyXNGDFVOQRVIANT-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-2-(3,4-dichlorophenyl)sulfanylacetamide
CID 71995493
2-[[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 42798781
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 79150403
2-[(3,4-dichlorophenyl)sulfanylmethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068640
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 9167168
1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene
CID 517877
3-(3,4-dichlorophenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 20988590
(2S)-2-[(3,4-dichlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-propan-2-ylpropanamide
CID 100698419
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 78764212
2-[3-chloro-4-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylacetamide
CID 114234761
4-(3,4-dichlorophenyl)sulfanyl-3-hydroxybutanoic acid
CID 82776686
N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide
CID 171443105

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide (CID 1486391) is 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is XNGDFVOQRVIANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NOS/c1-9(2)17(10(3)4)14(18)8-19-11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide?
2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 320.29 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 1486391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).