1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea

C24H29N3O6S — CID 55589999

IUPAC1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
SMILESCCOc1cccc2cc(C(C)NC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)oc12
InChIInChI=1S/C24H29N3O6S/c1-3-32-21-6-4-5-19-15-22(33-23(19)21)17(2)26-24(28)25-16-18-7-9-20(10-8-18)34(29,30)27-11-13-31-14-12-27/h4-10,15,17H,3,11-14,16H2,1-2H3,(H2,25,26,28)
InChIKeyGKPBKKOMAFSYGS-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.41
Rot. Bonds8

About 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea

1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea (PubChem CID 55589999) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
PubChem CID55589999
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
SMILESCCOc1cccc2cc(C(C)NC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)oc12
InChIInChI=1S/C24H29N3O6S/c1-3-32-21-6-4-5-19-15-22(33-23(19)21)17(2)26-24(28)25-16-18-7-9-20(10-8-18)34(29,30)27-11-13-31-14-12-27/h4-10,15,17H,3,11-14,16H2,1-2H3,(H2,25,26,28)
InChIKeyGKPBKKOMAFSYGS-UHFFFAOYSA-N
XLogP3.41
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 55741388
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55743916
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55396138
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841700
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 95187129
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 71879730
N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
CID 86831296
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 136539624

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea (CID 55589999) is 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea is CCOc1cccc2cc(C(C)NC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)oc12.
What is the InChIKey of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
The InChIKey is GKPBKKOMAFSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-3-32-21-6-4-5-19-15-22(33-23(19)21)17(2)26-24(28)25-16-18-7-9-20(10-8-18)34(29,30)27-11-13-31-14-12-27/h4-10,15,17H,3,11-14,16H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea?
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea has a molecular weight of 487.58 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 55589999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).