N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide

C19H20N2O4S — CID 22750807

IUPACN-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide
SMILESO=C(NS(=O)(=O)C=C(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H20N2O4S/c22-19(21-11-13-25-14-12-21)20-26(23,24)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,20,22)
InChIKeyNIGPTWKVLBMEHF-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.45
Rot. Bonds4

About N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide

N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide (PubChem CID 22750807) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide
PubChem CID22750807
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide
SMILESO=C(NS(=O)(=O)C=C(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H20N2O4S/c22-19(21-11-13-25-14-12-21)20-26(23,24)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,20,22)
InChIKeyNIGPTWKVLBMEHF-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide?
The IUPAC name of N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide (CID 22750807) is N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide is O=C(NS(=O)(=O)C=C(c1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide?
The InChIKey is NIGPTWKVLBMEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c22-19(21-11-13-25-14-12-21)20-26(23,24)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,20,22).
What are the key properties of N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide?
N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenylsulfonyl)morpholine-4-carboxamide is sourced from PubChem (CID 22750807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).