N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide

C18H23NO3S — CID 86943047

IUPACN-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cccc(CC(C)NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NO3S/c1-13-8-9-14(2)18(10-13)23(20,21)19-15(3)11-16-6-5-7-17(12-16)22-4/h5-10,12,15,19H,11H2,1-4H3
InChIKeyACBMYEYDMJJMLZ-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide

N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 86943047) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID86943047
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cccc(CC(C)NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H23NO3S/c1-13-8-9-14(2)18(10-13)23(20,21)19-15(3)11-16-6-5-7-17(12-16)22-4/h5-10,12,15,19H,11H2,1-4H3
InChIKeyACBMYEYDMJJMLZ-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 86943041
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
N-[1-(3-methoxyphenyl)propan-2-yl]-3-methyl-4-nitrobenzenesulfonamide
CID 86959786
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide
CID 86941710
N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55915793
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide (CID 86943047) is N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide is COc1cccc(CC(C)NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is ACBMYEYDMJJMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13-8-9-14(2)18(10-13)23(20,21)19-15(3)11-16-6-5-7-17(12-16)22-4/h5-10,12,15,19H,11H2,1-4H3.
What are the key properties of N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide?
N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 86943047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).