1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea

C17H19N3O5S — CID 71895973

IUPAC1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
SMILESCOc1cc2c(cc1NC(=O)NCCNS(C)(=O)=O)oc1ccccc12
InChIInChI=1S/C17H19N3O5S/c1-24-16-9-12-11-5-3-4-6-14(11)25-15(12)10-13(16)20-17(21)18-7-8-19-26(2,22)23/h3-6,9-10,19H,7-8H2,1-2H3,(H2,18,20,21)
InChIKeyOMLKAMXTPOHPGJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea

1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea (PubChem CID 71895973) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
PubChem CID71895973
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
SMILESCOc1cc2c(cc1NC(=O)NCCNS(C)(=O)=O)oc1ccccc12
InChIInChI=1S/C17H19N3O5S/c1-24-16-9-12-11-5-3-4-6-14(11)25-15(12)10-13(16)20-17(21)18-7-8-19-26(2,22)23/h3-6,9-10,19H,7-8H2,1-2H3,(H2,18,20,21)
InChIKeyOMLKAMXTPOHPGJ-UHFFFAOYSA-N
XLogP2.27
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
CID 4256084
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519120
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea
CID 72686859
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
CID 40799365
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea?
The IUPAC name of 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea (CID 71895973) is 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea?
The canonical SMILES for 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea is COc1cc2c(cc1NC(=O)NCCNS(C)(=O)=O)oc1ccccc12.
What is the InChIKey of 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea?
The InChIKey is OMLKAMXTPOHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-24-16-9-12-11-5-3-4-6-14(11)25-15(12)10-13(16)20-17(21)18-7-8-19-26(2,22)23/h3-6,9-10,19H,7-8H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea?
1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea has a molecular weight of 377.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea is sourced from PubChem (CID 71895973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).