N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide

C19H20N2O5S — CID 72718894

IUPACN-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(NC(C)=O)cc3)C2)cc1
InChIInChI=1S/C19H20N2O5S/c1-13(22)20-15-5-3-14(4-6-15)19(23)21-11-18(12-21)27(24,25)17-9-7-16(26-2)8-10-17/h3-10,18H,11-12H2,1-2H3,(H,20,22)
InChIKeyOLQSOBGTUBEPAS-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.95
Rot. Bonds5

About N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide

N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide (PubChem CID 72718894) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide
PubChem CID72718894
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(NC(C)=O)cc3)C2)cc1
InChIInChI=1S/C19H20N2O5S/c1-13(22)20-15-5-3-14(4-6-15)19(23)21-11-18(12-21)27(24,25)17-9-7-16(26-2)8-10-17/h3-10,18H,11-12H2,1-2H3,(H,20,22)
InChIKeyOLQSOBGTUBEPAS-UHFFFAOYSA-N
XLogP1.95
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide (CID 72718894) is N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide is COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(NC(C)=O)cc3)C2)cc1.
What is the InChIKey of N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide?
The InChIKey is OLQSOBGTUBEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13(22)20-15-5-3-14(4-6-15)19(23)21-11-18(12-21)27(24,25)17-9-7-16(26-2)8-10-17/h3-10,18H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide?
N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide has a molecular weight of 388.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 72718894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).