3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea

C15H19N3O4S — CID 99804013

IUPAC3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
SMILESC[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H19N3O4S/c1-11(12-5-3-7-14(9-12)23(16,20)21)18(2)15(19)17-10-13-6-4-8-22-13/h3-9,11H,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m1/s1
InChIKeyICNQVJSVCZCBRL-LLVKDONJSA-N
MW337.40 g/mol
LogP1.83
Rot. Bonds5

About 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea

3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea (PubChem CID 99804013) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
PubChem CID99804013
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
SMILESC[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H19N3O4S/c1-11(12-5-3-7-14(9-12)23(16,20)21)18(2)15(19)17-10-13-6-4-8-22-13/h3-9,11H,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m1/s1
InChIKeyICNQVJSVCZCBRL-LLVKDONJSA-N
XLogP1.83
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 95336916
3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 51213557
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea
CID 8560936
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 43074821
N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]propanamide
CID 47011162

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea (CID 99804013) is 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea is C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea?
The InChIKey is ICNQVJSVCZCBRL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11(12-5-3-7-14(9-12)23(16,20)21)18(2)15(19)17-10-13-6-4-8-22-13/h3-9,11H,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m1/s1.
What are the key properties of 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea?
3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea has a molecular weight of 337.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 99804013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).