1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea

C20H25N3O4S — CID 47081837

IUPAC1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea
SMILESCC(C)(NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-20(2,16-7-4-3-5-8-16)22-19(24)21-17-9-6-10-18(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyFHKRQCALNHGILJ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea

1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea (PubChem CID 47081837) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea
PubChem CID47081837
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea
SMILESCC(C)(NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-20(2,16-7-4-3-5-8-16)22-19(24)21-17-9-6-10-18(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyFHKRQCALNHGILJ-UHFFFAOYSA-N
XLogP2.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide
CID 52522864
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29203618
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 4883284
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 17070440
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea?
The IUPAC name of 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea (CID 47081837) is 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea is CC(C)(NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea?
The InChIKey is FHKRQCALNHGILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-20(2,16-7-4-3-5-8-16)22-19(24)21-17-9-6-10-18(15-17)28(25,26)23-11-13-27-14-12-23/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea?
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea has a molecular weight of 403.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea is sourced from PubChem (CID 47081837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).