1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide

C18H23NO3S — CID 30386508

IUPAC1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H23NO3S/c1-14(2)22-18-10-8-16(9-11-18)12-19-23(20,21)13-17-7-5-4-6-15(17)3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyQLSPQLLTYRJTET-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.40
Rot. Bonds7

About 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide

1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide (PubChem CID 30386508) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
PubChem CID30386508
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H23NO3S/c1-14(2)22-18-10-8-16(9-11-18)12-19-23(20,21)13-17-7-5-4-6-15(17)3/h4-11,14,19H,12-13H2,1-3H3
InChIKeyQLSPQLLTYRJTET-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 92680578
1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 28576901
N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731718
2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46595987
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
CID 54799793
1-[(2-methylphenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100590551
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110666149
N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide
CID 131961898

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide (CID 30386508) is 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The InChIKey is QLSPQLLTYRJTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14(2)22-18-10-8-16(9-11-18)12-19-23(20,21)13-17-7-5-4-6-15(17)3/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 30386508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).