3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

C17H19N3O5S — CID 9473161

IUPAC3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H19N3O5S/c1-20(2)26(23,24)15-9-5-7-13(11-15)17(22)19-18-16(21)12-6-4-8-14(10-12)25-3/h4-11H,1-3H3,(H,18,21)(H,19,22)
InChIKeyDUWMUDRBXIEEHD-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.02
Rot. Bonds5

About 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide

3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 9473161) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
PubChem CID9473161
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H19N3O5S/c1-20(2)26(23,24)15-9-5-7-13(11-15)17(22)19-18-16(21)12-6-4-8-14(10-12)25-3/h4-11H,1-3H3,(H,18,21)(H,19,22)
InChIKeyDUWMUDRBXIEEHD-UHFFFAOYSA-N
XLogP1.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 8880057
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 110408855
3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473259
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
1-tert-butyl-3-[[3-(dimethylsulfamoyl)benzoyl]amino]thiourea
CID 9425452
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
N,N-dimethyl-3-[(3-methylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24639201
3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43016473
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100626716
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide (CID 9473161) is 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is DUWMUDRBXIEEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-20(2)26(23,24)15-9-5-7-13(11-15)17(22)19-18-16(21)12-6-4-8-14(10-12)25-3/h4-11H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide?
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 9473161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).