4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide

C19H24N2O4S — CID 126450476

IUPAC4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
SMILESC[C@H](O)c1ccc(-c2ccc(C(=O)NCCN(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(22)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(23)20-12-13-21(2)26(3,24)25/h4-11,14,22H,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyNNDMOAIRWFKPOC-AWEZNQCLSA-N
MW376.48 g/mol
LogP2.03
Rot. Bonds7

About 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide

4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide (PubChem CID 126450476) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
PubChem CID126450476
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
SMILESC[C@H](O)c1ccc(-c2ccc(C(=O)NCCN(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(22)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(23)20-12-13-21(2)26(3,24)25/h4-11,14,22H,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyNNDMOAIRWFKPOC-AWEZNQCLSA-N
XLogP2.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
CID 119063323
4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 126445261
4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066828
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 126432469
4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide
CID 56546010
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064977
4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065465
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3,4-dimethylbenzamide
CID 113065594
N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide
CID 50980034
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
4-[methyl(propan-2-yl)amino]-N-propylbenzamide
CID 91434039

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide?
The IUPAC name of 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide (CID 126450476) is 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide?
The canonical SMILES for 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide is C[C@H](O)c1ccc(-c2ccc(C(=O)NCCN(C)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide?
The InChIKey is NNDMOAIRWFKPOC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14(22)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(23)20-12-13-21(2)26(3,24)25/h4-11,14,22H,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide?
4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide is sourced from PubChem (CID 126450476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).