4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide

C19H25NO3S — CID 133166471

IUPAC4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)CCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO3S/c1-14-12-18(23-4)13-15(2)19(14)24(21,22)20-16(3)10-11-17-8-6-5-7-9-17/h5-9,12-13,16,20H,10-11H2,1-4H3
InChIKeyKFWJCQRCNPUYKW-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.61
Rot. Bonds7

About 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide

4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 133166471) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID133166471
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)CCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO3S/c1-14-12-18(23-4)13-15(2)19(14)24(21,22)20-16(3)10-11-17-8-6-5-7-9-17/h5-9,12-13,16,20H,10-11H2,1-4H3
InChIKeyKFWJCQRCNPUYKW-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
2,4-dichloro-5-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 74225948
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 43169502
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 52508835
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110731612

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 133166471) is 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NC(C)CCc2ccccc2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is KFWJCQRCNPUYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-14-12-18(23-4)13-15(2)19(14)24(21,22)20-16(3)10-11-17-8-6-5-7-9-17/h5-9,12-13,16,20H,10-11H2,1-4H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 133166471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).