N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide

C20H25NOS — CID 99132104

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
SMILESCC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(C)cc1
InChIInChI=1S/C20H25NOS/c1-5-18(16-12-10-15(4)11-13-16)21-20(22)17-8-6-7-9-19(17)23-14(2)3/h6-14,18H,5H2,1-4H3,(H,21,22)/t18-/m1/s1
InChIKeyDABUALGTIDQQCU-GOSISDBHSA-N
MW327.49 g/mol
LogP5.38
Rot. Bonds6

About N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide

N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 99132104) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID99132104
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
SMILESCC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(C)cc1
InChIInChI=1S/C20H25NOS/c1-5-18(16-12-10-15(4)11-13-16)21-20(22)17-8-6-7-9-19(17)23-14(2)3/h6-14,18H,5H2,1-4H3,(H,21,22)/t18-/m1/s1
InChIKeyDABUALGTIDQQCU-GOSISDBHSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186
N-[1-(2,4-dimethylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 132652311
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide
CID 132650459
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide
CID 132655838
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide (CID 99132104) is N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide is CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is DABUALGTIDQQCU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25NOS/c1-5-18(16-12-10-15(4)11-13-16)21-20(22)17-8-6-7-9-19(17)23-14(2)3/h6-14,18H,5H2,1-4H3,(H,21,22)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide?
N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 327.49 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 99132104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).