N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide

C21H29NO3S — CID 133186546

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1cc(C)c(C(C)NS(=O)(=O)Cc2ccccc2C)cc1C(C)C
InChIInChI=1S/C21H29NO3S/c1-14(2)19-12-20(16(4)11-21(19)25-6)17(5)22-26(23,24)13-18-10-8-7-9-15(18)3/h7-12,14,17,22H,13H2,1-6H3
InChIKeyGKMLOTKBPVQSGU-UHFFFAOYSA-N
MW375.53 g/mol
LogP4.62
Rot. Bonds7

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 133186546) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID133186546
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1cc(C)c(C(C)NS(=O)(=O)Cc2ccccc2C)cc1C(C)C
InChIInChI=1S/C21H29NO3S/c1-14(2)19-12-20(16(4)11-21(19)25-6)17(5)22-26(23,24)13-18-10-8-7-9-15(18)3/h7-12,14,17,22H,13H2,1-6H3
InChIKeyGKMLOTKBPVQSGU-UHFFFAOYSA-N
XLogP4.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 133186551
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 100647223
1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 92646385
3-iodo-4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 133186440
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 133186442
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 133186606
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133186266
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 133186546) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide is COc1cc(C)c(C(C)NS(=O)(=O)Cc2ccccc2C)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is GKMLOTKBPVQSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-14(2)19-12-20(16(4)11-21(19)25-6)17(5)22-26(23,24)13-18-10-8-7-9-15(18)3/h7-12,14,17,22H,13H2,1-6H3.
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 375.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 133186546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).