N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide

C18H21NO2S — CID 94623512

IUPACN-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@H](C)COc1ccccc1C
InChIInChI=1S/C18H21NO2S/c1-13-8-4-6-10-16(13)21-12-14(2)19-18(20)15-9-5-7-11-17(15)22-3/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyNHSGUGZZOXFIKX-CQSZACIVSA-N
MW315.44 g/mol
LogP3.91
Rot. Bonds6

About N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide

N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide (PubChem CID 94623512) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
PubChem CID94623512
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@H](C)COc1ccccc1C
InChIInChI=1S/C18H21NO2S/c1-13-8-4-6-10-16(13)21-12-14(2)19-18(20)15-9-5-7-11-17(15)22-3/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyNHSGUGZZOXFIKX-CQSZACIVSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide
CID 95164068
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 100614435
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide
CID 114299364
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 132671490
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 132650617
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide (CID 94623512) is N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N[C@H](C)COc1ccccc1C.
What is the InChIKey of N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide?
The InChIKey is NHSGUGZZOXFIKX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-8-4-6-10-16(13)21-12-14(2)19-18(20)15-9-5-7-11-17(15)22-3/h4-11,14H,12H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide?
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide has a molecular weight of 315.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 94623512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).