3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide

C19H24N2O3S — CID 119331161

IUPAC3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide
SMILESCCc1ccc(C(NC(=O)CCN)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-14-7-9-15(10-8-14)19(21-18(22)11-12-20)16-5-4-6-17(13-16)25(2,23)24/h4-10,13,19H,3,11-12,20H2,1-2H3,(H,21,22)
InChIKeyQWVFWYWIJLHXMK-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.21
Rot. Bonds7

About 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide

3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide (PubChem CID 119331161) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide
PubChem CID119331161
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide
SMILESCCc1ccc(C(NC(=O)CCN)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-14-7-9-15(10-8-14)19(21-18(22)11-12-20)16-5-4-6-17(13-16)25(2,23)24/h4-10,13,19H,3,11-12,20H2,1-2H3,(H,21,22)
InChIKeyQWVFWYWIJLHXMK-UHFFFAOYSA-N
XLogP2.21
TPSA89.26 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
CID 120563127
N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide
CID 119797041
4-amino-3-methoxy-N-[(3-methylsulfonylphenyl)-phenylmethyl]butanamide;hydrochloride
CID 120592927
1-[chloro-(4-ethylphenyl)methyl]-3-methylsulfonylbenzene
CID 61085396
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
CID 119338392
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352
[(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105301936
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 119796993

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide (CID 119331161) is 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide is CCc1ccc(C(NC(=O)CCN)c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide?
The InChIKey is QWVFWYWIJLHXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-14-7-9-15(10-8-14)19(21-18(22)11-12-20)16-5-4-6-17(13-16)25(2,23)24/h4-10,13,19H,3,11-12,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide?
3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 119331161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).