4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide

C19H19N3O4S — CID 90554569

IUPAC4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-26-17-8-10-18(11-9-17)27(24,25)21-12-2-3-15-4-6-16(7-5-15)22-14-13-20-19(22)23/h4-11,21H,12-14H2,1H3,(H,20,23)
InChIKeyFFSNTVYONXRJNS-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.55
Rot. Bonds5

About 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide

4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide (PubChem CID 90554569) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
PubChem CID90554569
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-26-17-8-10-18(11-9-17)27(24,25)21-12-2-3-15-4-6-16(7-5-15)22-14-13-20-19(22)23/h4-11,21H,12-14H2,1H3,(H,20,23)
InChIKeyFFSNTVYONXRJNS-UHFFFAOYSA-N
XLogP1.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide (CID 90554569) is 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The InChIKey is FFSNTVYONXRJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-26-17-8-10-18(11-9-17)27(24,25)21-12-2-3-15-4-6-16(7-5-15)22-14-13-20-19(22)23/h4-11,21H,12-14H2,1H3,(H,20,23).
What are the key properties of 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 90554569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).