1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea

C20H25N3O4S — CID 24809976

IUPAC1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(S(=O)(=O)CCCN2CCOCC2)c1
InChIInChI=1S/C20H25N3O4S/c24-20(21-17-6-2-1-3-7-17)22-18-8-4-9-19(16-18)28(25,26)15-5-10-23-11-13-27-14-12-23/h1-4,6-9,16H,5,10-15H2,(H2,21,22,24)
InChIKeyRPNNFIXBUCMPBH-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.83
Rot. Bonds7

About 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea

1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea (PubChem CID 24809976) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea
PubChem CID24809976
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(S(=O)(=O)CCCN2CCOCC2)c1
InChIInChI=1S/C20H25N3O4S/c24-20(21-17-6-2-1-3-7-17)22-18-8-4-9-19(16-18)28(25,26)15-5-10-23-11-13-27-14-12-23/h1-4,6-9,16H,5,10-15H2,(H2,21,22,24)
InChIKeyRPNNFIXBUCMPBH-UHFFFAOYSA-N
XLogP2.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea (CID 24809976) is 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(S(=O)(=O)CCCN2CCOCC2)c1.
What is the InChIKey of 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea?
The InChIKey is RPNNFIXBUCMPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c24-20(21-17-6-2-1-3-7-17)22-18-8-4-9-19(16-18)28(25,26)15-5-10-23-11-13-27-14-12-23/h1-4,6-9,16H,5,10-15H2,(H2,21,22,24).
What are the key properties of 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea?
1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea has a molecular weight of 403.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-phenylurea is sourced from PubChem (CID 24809976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).