N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide

C18H21FN2OS — CID 15132119

IUPACN-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccccc1Sc1cccc(F)c1
InChIInChI=1S/C18H21FN2OS/c1-20(2)11-12-21(3)18(22)16-9-4-5-10-17(16)23-15-8-6-7-14(19)13-15/h4-10,13H,11-12H2,1-3H3
InChIKeyVSPDAYGZLIPHPY-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide (PubChem CID 15132119) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide
PubChem CID15132119
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccccc1Sc1cccc(F)c1
InChIInChI=1S/C18H21FN2OS/c1-20(2)11-12-21(3)18(22)16-9-4-5-10-17(16)23-15-8-6-7-14(19)13-15/h4-10,13H,11-12H2,1-3H3
InChIKeyVSPDAYGZLIPHPY-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
but-2-enedioic acid;1-[5-fluoro-2-(3-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 67633163
2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
CID 107424030
N-[2-(dimethylamino)ethyl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 63699841
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride
CID 54468098
3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 154815656
N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 63699667
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
2-(3-fluorophenyl)sulfanyl-4-methoxybenzoic acid
CID 81309333

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide (CID 15132119) is N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide is CN(C)CCN(C)C(=O)c1ccccc1Sc1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide?
The InChIKey is VSPDAYGZLIPHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-20(2)11-12-21(3)18(22)16-9-4-5-10-17(16)23-15-8-6-7-14(19)13-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide?
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide has a molecular weight of 332.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide is sourced from PubChem (CID 15132119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).