1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea

C19H21N3O5S — CID 2956467

IUPAC1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H21N3O5S/c1-14(23)15-4-2-5-16(12-15)20-19(24)21-17-6-3-7-18(13-17)28(25,26)22-8-10-27-11-9-22/h2-7,12-13H,8-11H2,1H3,(H2,20,21,24)
InChIKeyNVHUELJFQOTELJ-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea

1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea (PubChem CID 2956467) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
PubChem CID2956467
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H21N3O5S/c1-14(23)15-4-2-5-16(12-15)20-19(24)21-17-6-3-7-18(13-17)28(25,26)22-8-10-27-11-9-22/h2-7,12-13H,8-11H2,1H3,(H2,20,21,24)
InChIKeyNVHUELJFQOTELJ-UHFFFAOYSA-N
XLogP2.55
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43018790
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081837
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea (CID 2956467) is 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea is CC(=O)c1cccc(NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea?
The InChIKey is NVHUELJFQOTELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-14(23)15-4-2-5-16(12-15)20-19(24)21-17-6-3-7-18(13-17)28(25,26)22-8-10-27-11-9-22/h2-7,12-13H,8-11H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea?
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea has a molecular weight of 403.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea is sourced from PubChem (CID 2956467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).