N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide

C19H23NO5S — CID 14523562

IUPACN-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide
SMILESCCCc1c(OCc2cccc(NS(C)(=O)=O)c2)ccc(C(C)=O)c1O
InChIInChI=1S/C19H23NO5S/c1-4-6-17-18(10-9-16(13(2)21)19(17)22)25-12-14-7-5-8-15(11-14)20-26(3,23)24/h5,7-11,20,22H,4,6,12H2,1-3H3
InChIKeyXXHFNGPKTXLLNX-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.50
Rot. Bonds8

About N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide

N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide (PubChem CID 14523562) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide
PubChem CID14523562
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide
SMILESCCCc1c(OCc2cccc(NS(C)(=O)=O)c2)ccc(C(C)=O)c1O
InChIInChI=1S/C19H23NO5S/c1-4-6-17-18(10-9-16(13(2)21)19(17)22)25-12-14-7-5-8-15(11-14)20-26(3,23)24/h5,7-11,20,22H,4,6,12H2,1-3H3
InChIKeyXXHFNGPKTXLLNX-UHFFFAOYSA-N
XLogP3.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide (CID 14523562) is N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide is CCCc1c(OCc2cccc(NS(C)(=O)=O)c2)ccc(C(C)=O)c1O.
What is the InChIKey of N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide?
The InChIKey is XXHFNGPKTXLLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-4-6-17-18(10-9-16(13(2)21)19(17)22)25-12-14-7-5-8-15(11-14)20-26(3,23)24/h5,7-11,20,22H,4,6,12H2,1-3H3.
What are the key properties of N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide?
N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide has a molecular weight of 377.46 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14523562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).