N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide

C19H24N2O2S — CID 71913720

IUPACN-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NCc1ccc(S(C)=O)cc1)C(C)=O
InChIInChI=1S/C19H24N2O2S/c1-4-21(15(2)22)14-17-7-5-6-8-19(17)20-13-16-9-11-18(12-10-16)24(3)23/h5-12,20H,4,13-14H2,1-3H3
InChIKeyRVTUHHOXJKKMSL-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.40
Rot. Bonds7

About N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide

N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide (PubChem CID 71913720) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide
PubChem CID71913720
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NCc1ccc(S(C)=O)cc1)C(C)=O
InChIInChI=1S/C19H24N2O2S/c1-4-21(15(2)22)14-17-7-5-6-8-19(17)20-13-16-9-11-18(12-10-16)24(3)23/h5-12,20H,4,13-14H2,1-3H3
InChIKeyRVTUHHOXJKKMSL-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide
CID 71968112
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
2-ethylsulfonyl-N-[(4-methylsulfinylphenyl)methyl]aniline
CID 102562312
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
CID 75385127
N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
CID 86983565
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 86826316
4-[(2-ethylanilino)methyl]benzamide
CID 28583374
[2-(benzylamino)phenyl]methyl acetate
CID 174839989
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide?
The IUPAC name of N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide (CID 71913720) is N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide is CCN(Cc1ccccc1NCc1ccc(S(C)=O)cc1)C(C)=O.
What is the InChIKey of N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide?
The InChIKey is RVTUHHOXJKKMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-21(15(2)22)14-17-7-5-6-8-19(17)20-13-16-9-11-18(12-10-16)24(3)23/h5-12,20H,4,13-14H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide?
N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[(4-methylsulfinylphenyl)methylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 71913720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).