3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide

C18H23NO3S — CID 45100411

IUPAC3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1C
InChIInChI=1S/C18H23NO3S/c1-4-12-22-18-11-10-17(13-14(18)2)23(20,21)19-15(3)16-8-6-5-7-9-16/h5-11,13,15,19H,4,12H2,1-3H3
InChIKeyPKMKYBXXEXPBBH-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.82
Rot. Bonds7

About 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide

3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide (PubChem CID 45100411) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
PubChem CID45100411
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1C
InChIInChI=1S/C18H23NO3S/c1-4-12-22-18-11-10-17(13-14(18)2)23(20,21)19-15(3)16-8-6-5-7-9-16/h5-11,13,15,19H,4,12H2,1-3H3
InChIKeyPKMKYBXXEXPBBH-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
4-butoxy-N-[(1R)-1-phenylethyl]-3-propan-2-ylbenzenesulfonamide
CID 124680588
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 30143939
N-[2-ethoxy-5-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 7368615
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 106036342
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide?
The IUPAC name of 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide (CID 45100411) is 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide?
The canonical SMILES for 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1C.
What is the InChIKey of 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide?
The InChIKey is PKMKYBXXEXPBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-12-22-18-11-10-17(13-14(18)2)23(20,21)19-15(3)16-8-6-5-7-9-16/h5-11,13,15,19H,4,12H2,1-3H3.
What are the key properties of 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide?
3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide is sourced from PubChem (CID 45100411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).