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

C20H25NO2S — CID 95164068

IUPACN-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C20H25NO2S/c1-14(2)24-19-12-8-6-10-17(19)20(22)21-16(4)13-23-18-11-7-5-9-15(18)3/h5-12,14,16H,13H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyRLKLFXDOOWYXOF-MRXNPFEDSA-N
MW343.49 g/mol
LogP4.69
Rot. Bonds7

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

N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 95164068) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide
PubChem CID95164068
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C20H25NO2S/c1-14(2)24-19-12-8-6-10-17(19)20(22)21-16(4)13-23-18-11-7-5-9-15(18)3/h5-12,14,16H,13H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyRLKLFXDOOWYXOF-MRXNPFEDSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
CID 94623512
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
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-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 132650617
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132656771
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-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide (CID 95164068) is N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide is Cc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1SC(C)C.
What is the InChIKey of N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is RLKLFXDOOWYXOF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-14(2)24-19-12-8-6-10-17(19)20(22)21-16(4)13-23-18-11-7-5-9-15(18)3/h5-12,14,16H,13H2,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide?
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 343.49 g/mol, XLogP of 4.69, 7 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-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 95164068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).