N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide

C20H25ClN2O2S — CID 86930265

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(S(C)=O)cc1)c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2S/c1-4-23(5-2)19(17-8-6-7-9-18(17)21)14-22-20(24)15-10-12-16(13-11-15)26(3)25/h6-13,19H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyCEGDLIDOCYYIFW-UHFFFAOYSA-N
MW392.95 g/mol
LogP3.89
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide (PubChem CID 86930265) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
PubChem CID86930265
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(S(C)=O)cc1)c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2S/c1-4-23(5-2)19(17-8-6-7-9-18(17)21)14-22-20(24)15-10-12-16(13-11-15)26(3)25/h6-13,19H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyCEGDLIDOCYYIFW-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
CID 18269959
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55836198
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522526
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2H-triazole-4-carboxamide
CID 51595080
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide (CID 86930265) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide is CCN(CC)C(CNC(=O)c1ccc(S(C)=O)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide?
The InChIKey is CEGDLIDOCYYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-4-23(5-2)19(17-8-6-7-9-18(17)21)14-22-20(24)15-10-12-16(13-11-15)26(3)25/h6-13,19H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide has a molecular weight of 392.95 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide is sourced from PubChem (CID 86930265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).