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

C19H19N3O4S — CID 90554610

IUPAC2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC#Cc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-26-17-6-2-3-7-18(17)27(24,25)21-12-4-5-15-8-10-16(11-9-15)22-14-13-20-19(22)23/h2-3,6-11,21H,12-14H2,1H3,(H,20,23)
InChIKeyMFRCBCUAUZCUPM-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.55
Rot. Bonds5

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

2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide (PubChem CID 90554610) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
PubChem CID90554610
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC#Cc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-26-17-6-2-3-7-18(17)27(24,25)21-12-4-5-15-8-10-16(11-9-15)22-14-13-20-19(22)23/h2-3,6-11,21H,12-14H2,1H3,(H,20,23)
InChIKeyMFRCBCUAUZCUPM-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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Related Compounds

4-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90554569
4-bromo-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90554568
(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide
CID 90554600
4-[3-[(2-methoxyphenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553480
(E)-2-(4-methylphenyl)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]ethenesulfonamide
CID 90554630
1-(2-ethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554539
1-(3,5-dimethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554549
2-fluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90554129
1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554526
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide
CID 90552526
3,4-dimethoxy-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90554101
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide
CID 90552512

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide (CID 90554610) is 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCC#Cc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
The InChIKey is MFRCBCUAUZCUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-26-17-6-2-3-7-18(17)27(24,25)21-12-4-5-15-8-10-16(11-9-15)22-14-13-20-19(22)23/h2-3,6-11,21H,12-14H2,1H3,(H,20,23).
What are the key properties of 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide?
2-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 2-methoxy-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 90554610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).