1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea

C21H28N4O4S — CID 5075583

IUPAC1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C21H28N4O4S/c1-3-24(4-2)20-11-10-18(30(27,28)25-12-14-29-15-13-25)16-19(20)23-21(26)22-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3,(H2,22,23,26)
InChIKeyGFZUPVYQAVSZBK-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.20
Rot. Bonds7

About 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea

1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea (PubChem CID 5075583) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
PubChem CID5075583
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C21H28N4O4S/c1-3-24(4-2)20-11-10-18(30(27,28)25-12-14-29-15-13-25)16-19(20)23-21(26)22-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3,(H2,22,23,26)
InChIKeyGFZUPVYQAVSZBK-UHFFFAOYSA-N
XLogP3.20
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea?
The IUPAC name of 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea (CID 5075583) is 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea?
The canonical SMILES for 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea?
The InChIKey is GFZUPVYQAVSZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-3-24(4-2)20-11-10-18(30(27,28)25-12-14-29-15-13-25)16-19(20)23-21(26)22-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea?
1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea has a molecular weight of 432.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea is sourced from PubChem (CID 5075583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).