N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide

C19H24N2O3S — CID 119797041

IUPACN-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide
SMILESCCc1ccc(C(NC(=O)CNC)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-14-8-10-15(11-9-14)19(21-18(22)13-20-2)16-6-5-7-17(12-16)25(3,23)24/h5-12,19-20H,4,13H2,1-3H3,(H,21,22)
InChIKeyIVSCQTXSOJYDQA-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.08
Rot. Bonds7

About N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide

N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide (PubChem CID 119797041) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide
PubChem CID119797041
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide
SMILESCCc1ccc(C(NC(=O)CNC)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-14-8-10-15(11-9-14)19(21-18(22)13-20-2)16-6-5-7-17(12-16)25(3,23)24/h5-12,19-20H,4,13H2,1-3H3,(H,21,22)
InChIKeyIVSCQTXSOJYDQA-UHFFFAOYSA-N
XLogP2.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide
CID 119331161
4-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
CID 120563127
1-[chloro-(4-ethylphenyl)methyl]-3-methylsulfonylbenzene
CID 61085396
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
4-amino-3-methoxy-N-[(3-methylsulfonylphenyl)-phenylmethyl]butanamide;hydrochloride
CID 120592927
2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
CID 119338392
(1S)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-methylsulfonylphenyl)propan-1-ol
CID 134419986
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600799
2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41397075
N-[(S)-(3,4-difluorophenyl)-(3-methylsulfanylphenyl)methyl]-2-(methylamino)acetamide
CID 99776261

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide (CID 119797041) is N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide is CCc1ccc(C(NC(=O)CNC)c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide?
The InChIKey is IVSCQTXSOJYDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-14-8-10-15(11-9-14)19(21-18(22)13-20-2)16-6-5-7-17(12-16)25(3,23)24/h5-12,19-20H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide?
N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119797041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).