1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea

C18H23N3O5S — CID 36512808

IUPAC1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)NC)c2)cc1OCC
InChIInChI=1S/C18H23N3O5S/c1-4-25-16-10-9-15(12-17(16)26-5-2)27(23,24)21-14-8-6-7-13(11-14)20-18(22)19-3/h6-12,21H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyFNIHIKZBAMBTJT-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.04
Rot. Bonds8

About 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea

1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea (PubChem CID 36512808) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
PubChem CID36512808
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)NC)c2)cc1OCC
InChIInChI=1S/C18H23N3O5S/c1-4-25-16-10-9-15(12-17(16)26-5-2)27(23,24)21-14-8-6-7-13(11-14)20-18(22)19-3/h6-12,21H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyFNIHIKZBAMBTJT-UHFFFAOYSA-N
XLogP3.04
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511529
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656762
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
3-[(3-tert-butyl-4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 39845160
5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282739
S-[4-[(3,4-diethoxyphenyl)sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56508235
4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea (CID 36512808) is 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea is CCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)NC)c2)cc1OCC.
What is the InChIKey of 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea?
The InChIKey is FNIHIKZBAMBTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-4-25-16-10-9-15(12-17(16)26-5-2)27(23,24)21-14-8-6-7-13(11-14)20-18(22)19-3/h6-12,21H,4-5H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea?
1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea has a molecular weight of 393.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea is sourced from PubChem (CID 36512808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).