N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide

C12H19NO3S — CID 47070223

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)Cc1ccccc1OC
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)13-10(2)9-11-7-5-6-8-12(11)16-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyUPNBHIFDTBZJQT-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.57
Rot. Bonds6

About N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide

N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide (PubChem CID 47070223) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
PubChem CID47070223
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)Cc1ccccc1OC
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)13-10(2)9-11-7-5-6-8-12(11)16-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyUPNBHIFDTBZJQT-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
CID 47071877
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropane-1-sulfonamide
CID 79585240
N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide
CID 47372753
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 119165186
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide (CID 47070223) is N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide is CCS(=O)(=O)NC(C)Cc1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide?
The InChIKey is UPNBHIFDTBZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-17(14,15)13-10(2)9-11-7-5-6-8-12(11)16-3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide?
N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide is sourced from PubChem (CID 47070223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).