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

C20H29N3O5S — CID 55642118

IUPAC3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C20H29N3O5S/c24-20(15-2-1-3-18(12-15)29(25,26)22-17-4-5-17)21-13-19(16-6-9-28-14-16)23-7-10-27-11-8-23/h1-3,12,16-17,19,22H,4-11,13-14H2,(H,21,24)
InChIKeyRYFKIDMYRZADAV-UHFFFAOYSA-N
MW423.54 g/mol
LogP0.59
Rot. Bonds8

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

3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 55642118) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
PubChem CID55642118
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C20H29N3O5S/c24-20(15-2-1-3-18(12-15)29(25,26)22-17-4-5-17)21-13-19(16-6-9-28-14-16)23-7-10-27-11-8-23/h1-3,12,16-17,19,22H,4-11,13-14H2,(H,21,24)
InChIKeyRYFKIDMYRZADAV-UHFFFAOYSA-N
XLogP0.59
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55641902
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55602817
3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55642245
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
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
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-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-(cyclopropylsulfamoyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 24680805
1-(benzenesulfonyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]piperidine-2-carboxamide
CID 55641996
5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide (CID 55642118) is 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide is O=C(NCC(C1CCOC1)N1CCOCC1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is RYFKIDMYRZADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c24-20(15-2-1-3-18(12-15)29(25,26)22-17-4-5-17)21-13-19(16-6-9-28-14-16)23-7-10-27-11-8-23/h1-3,12,16-17,19,22H,4-11,13-14H2,(H,21,24).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 423.54 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 55642118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).