2-chloro-N,N-diethyl-6-methylsulfanylbenzamide

C12H16ClNOS — CID 71442782

IUPAC2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
SMILESCCN(CC)C(=O)c1c(Cl)cccc1SC
InChIInChI=1S/C12H16ClNOS/c1-4-14(5-2)12(15)11-9(13)7-6-8-10(11)16-3/h6-8H,4-5H2,1-3H3
InChIKeyUNWAPZXXEWCBOQ-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.54
Rot. Bonds4

About 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide

2-chloro-N,N-diethyl-6-methylsulfanylbenzamide (PubChem CID 71442782) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
PubChem CID71442782
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
SMILESCCN(CC)C(=O)c1c(Cl)cccc1SC
InChIInChI=1S/C12H16ClNOS/c1-4-14(5-2)12(15)11-9(13)7-6-8-10(11)16-3/h6-8H,4-5H2,1-3H3
InChIKeyUNWAPZXXEWCBOQ-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
3-chloro-N,N-diethyl-2-fluorobenzamide
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2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide
CID 25180158
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-6-fluorobenzamide
CID 54987662
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide
CID 166671176
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160
4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
CID 110855128
N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787
6-chloro-N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide
CID 18630158
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide (CID 71442782) is 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide is CCN(CC)C(=O)c1c(Cl)cccc1SC.
What is the InChIKey of 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide?
The InChIKey is UNWAPZXXEWCBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-4-14(5-2)12(15)11-9(13)7-6-8-10(11)16-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide?
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide has a molecular weight of 257.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-6-methylsulfanylbenzamide is sourced from PubChem (CID 71442782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).