1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

C23H38N4O5S — CID 55590371

IUPAC1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NCC(C2CCOC2)N2CCOCC2)cc1
InChIInChI=1S/C23H38N4O5S/c1-4-27(5-2)33(29,30)21-8-6-19(7-9-21)18(3)25-23(28)24-16-22(20-10-13-32-17-20)26-11-14-31-15-12-26/h6-9,18,20,22H,4-5,10-17H2,1-3H3,(H2,24,25,28)
InChIKeyCDAQUVHDPJOCLN-UHFFFAOYSA-N
MW482.65 g/mol
LogP1.81
Rot. Bonds10

About 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (PubChem CID 55590371) has the molecular formula C23H38N4O5S and a molecular weight of 482.65 g/mol. Its IUPAC name is 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
PubChem CID55590371
Molecular FormulaC23H38N4O5S
Molecular Weight482.65 g/mol
Exact Mass482.26
IUPAC Name1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NCC(C2CCOC2)N2CCOCC2)cc1
InChIInChI=1S/C23H38N4O5S/c1-4-27(5-2)33(29,30)21-8-6-19(7-9-21)18(3)25-23(28)24-16-22(20-10-13-32-17-20)26-11-14-31-15-12-26/h6-9,18,20,22H,4-5,10-17H2,1-3H3,(H2,24,25,28)
InChIKeyCDAQUVHDPJOCLN-UHFFFAOYSA-N
XLogP1.81
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
(2S)-2-(benzenesulfonamido)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55938397
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55338802
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea
CID 95144903
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730
1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55792498
4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642370
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55642193

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (CID 55590371) is 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NCC(C2CCOC2)N2CCOCC2)cc1.
What is the InChIKey of 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The InChIKey is CDAQUVHDPJOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O5S/c1-4-27(5-2)33(29,30)21-8-6-19(7-9-21)18(3)25-23(28)24-16-22(20-10-13-32-17-20)26-11-14-31-15-12-26/h6-9,18,20,22H,4-5,10-17H2,1-3H3,(H2,24,25,28).
What are the key properties of 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea has a molecular weight of 482.65 g/mol, XLogP of 1.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 55590371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).