N,N-diethyl-4-methylsulfanylbenzamide;ethane

C14H23NOS — CID 145226293

IUPACN,N-diethyl-4-methylsulfanylbenzamide;ethane
SMILESCC.CCN(CC)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C12H17NOS.C2H6/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10;1-2/h6-9H,4-5H2,1-3H3;1-2H3
InChIKeyMFCTZFPFNBXQEN-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.92
Rot. Bonds4

About N,N-diethyl-4-methylsulfanylbenzamide;ethane

N,N-diethyl-4-methylsulfanylbenzamide;ethane (PubChem CID 145226293) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-diethyl-4-methylsulfanylbenzamide;ethane.

Molecular Properties

Compound NameN,N-diethyl-4-methylsulfanylbenzamide;ethane
PubChem CID145226293
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN,N-diethyl-4-methylsulfanylbenzamide;ethane
SMILESCC.CCN(CC)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C12H17NOS.C2H6/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10;1-2/h6-9H,4-5H2,1-3H3;1-2H3
InChIKeyMFCTZFPFNBXQEN-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
CID 54979363
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78816760
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N,N-diethyl-4-(methylsulfanylmethyl)benzamide
CID 60635900
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198941
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
[4-(diethylcarbamoyl)phenyl]-trimethylazanium
CID 122214787
CID 174412487
CID 174412487
4-butyl-N,N-diethylbenzamide
CID 60675001
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
N,N-bis(1-ethoxyethyl)-4-methylsulfanylbenzamide
CID 90160053
4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858692

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylsulfanylbenzamide;ethane?
The IUPAC name of N,N-diethyl-4-methylsulfanylbenzamide;ethane (CID 145226293) is N,N-diethyl-4-methylsulfanylbenzamide;ethane.
What is the SMILES notation for N,N-diethyl-4-methylsulfanylbenzamide;ethane?
The canonical SMILES for N,N-diethyl-4-methylsulfanylbenzamide;ethane is CC.CCN(CC)C(=O)c1ccc(SC)cc1.
What is the InChIKey of N,N-diethyl-4-methylsulfanylbenzamide;ethane?
The InChIKey is MFCTZFPFNBXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS.C2H6/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10;1-2/h6-9H,4-5H2,1-3H3;1-2H3.
What are the key properties of N,N-diethyl-4-methylsulfanylbenzamide;ethane?
N,N-diethyl-4-methylsulfanylbenzamide;ethane has a molecular weight of 253.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylsulfanylbenzamide;ethane is sourced from PubChem (CID 145226293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).