2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride

C19H25ClN2O3S — CID 119796978

IUPAC2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(c1ccccc1)c1cccc(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C19H24N2O3S.ClH/c1-14(13-20-2)19(22)21-18(15-8-5-4-6-9-15)16-10-7-11-17(12-16)25(3,23)24;/h4-12,14,18,20H,13H2,1-3H3,(H,21,22);1H
InChIKeyRCQSRYGTHGJKQE-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.57
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride (PubChem CID 119796978) has the molecular formula C19H25ClN2O3S and a molecular weight of 396.94 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
PubChem CID119796978
Molecular FormulaC19H25ClN2O3S
Molecular Weight396.94 g/mol
Exact Mass396.13
IUPAC Name2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(c1ccccc1)c1cccc(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C19H24N2O3S.ClH/c1-14(13-20-2)19(22)21-18(15-8-5-4-6-9-15)16-10-7-11-17(12-16)25(3,23)24;/h4-12,14,18,20H,13H2,1-3H3,(H,21,22);1H
InChIKeyRCQSRYGTHGJKQE-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
CID 119740356
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide
CID 119797041
4-amino-3-methoxy-N-[(3-methylsulfonylphenyl)-phenylmethyl]butanamide;hydrochloride
CID 120592927
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
4-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
CID 120563127
3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide
CID 119331161
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride (CID 119796978) is 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride is CNCC(C)C(=O)NC(c1ccccc1)c1cccc(S(C)(=O)=O)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride?
The InChIKey is RCQSRYGTHGJKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S.ClH/c1-14(13-20-2)19(22)21-18(15-8-5-4-6-9-15)16-10-7-11-17(12-16)25(3,23)24;/h4-12,14,18,20H,13H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride is sourced from PubChem (CID 119796978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).