N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide

C20H29N3O5S — CID 55641902

IUPACN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCC(C2CCOC2)N2CCOCC2)c1
InChIInChI=1S/C20H29N3O5S/c1-2-7-22-29(25,26)18-5-3-4-16(13-18)20(24)21-14-19(17-6-10-28-15-17)23-8-11-27-12-9-23/h2-5,13,17,19,22H,1,6-12,14-15H2,(H,21,24)
InChIKeyVWHJLPHWUPJNLX-UHFFFAOYSA-N
MW423.54 g/mol
LogP0.62
Rot. Bonds9

About N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55641902) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55641902
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCC(C2CCOC2)N2CCOCC2)c1
InChIInChI=1S/C20H29N3O5S/c1-2-7-22-29(25,26)18-5-3-4-16(13-18)20(24)21-14-19(17-6-10-28-15-17)23-8-11-27-12-9-23/h2-5,13,17,19,22H,1,6-12,14-15H2,(H,21,24)
InChIKeyVWHJLPHWUPJNLX-UHFFFAOYSA-N
XLogP0.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642118
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55602817
2-(oxan-3-yl)-2-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]acetic acid
CID 120547893
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642370
(2S)-2-(benzenesulfonamido)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55938397
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55642245
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]quinoline-2-carboxamide
CID 94083483
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 55641902) is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCC(C2CCOC2)N2CCOCC2)c1.
What is the InChIKey of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is VWHJLPHWUPJNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-2-7-22-29(25,26)18-5-3-4-16(13-18)20(24)21-14-19(17-6-10-28-15-17)23-8-11-27-12-9-23/h2-5,13,17,19,22H,1,6-12,14-15H2,(H,21,24).
What are the key properties of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 423.54 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55641902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).