4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide

C18H22N2O3S — CID 37303014

IUPAC4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(15-8-10-17(11-9-15)24(3,22)23)20(2)12-14-4-6-16(7-5-14)18(19)21/h4-11,13H,12H2,1-3H3,(H2,19,21)/t13-/m1/s1
InChIKeyFCOJZBODDGGYAV-CYBMUJFWSA-N
MW346.45 g/mol
LogP2.38
Rot. Bonds6

About 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide

4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide (PubChem CID 37303014) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
PubChem CID37303014
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(15-8-10-17(11-9-15)24(3,22)23)20(2)12-14-4-6-16(7-5-14)18(19)21/h4-11,13H,12H2,1-3H3,(H2,19,21)/t13-/m1/s1
InChIKeyFCOJZBODDGGYAV-CYBMUJFWSA-N
XLogP2.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 35886708
4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
(2S)-2-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanoic acid
CID 125118009
2-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]ethoxy]ethanol
CID 56805727
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
CID 50985142
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide (CID 37303014) is 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide is C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide?
The InChIKey is FCOJZBODDGGYAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(15-8-10-17(11-9-15)24(3,22)23)20(2)12-14-4-6-16(7-5-14)18(19)21/h4-11,13H,12H2,1-3H3,(H2,19,21)/t13-/m1/s1.
What are the key properties of 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide?
4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 37303014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).