2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide

C17H19N3O4S — CID 23556590

IUPAC2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESCCc1ccccc1C(=O)NS(=O)(=O)c1ccc(NC(=O)NC)cc1
InChIInChI=1S/C17H19N3O4S/c1-3-12-6-4-5-7-15(12)16(21)20-25(23,24)14-10-8-13(9-11-14)19-17(22)18-2/h4-11H,3H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyHZCDGCYNCIJWLB-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.12
Rot. Bonds5

About 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide

2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide (PubChem CID 23556590) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
PubChem CID23556590
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESCCc1ccccc1C(=O)NS(=O)(=O)c1ccc(NC(=O)NC)cc1
InChIInChI=1S/C17H19N3O4S/c1-3-12-6-4-5-7-15(12)16(21)20-25(23,24)14-10-8-13(9-11-14)19-17(22)18-2/h4-11H,3H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyHZCDGCYNCIJWLB-UHFFFAOYSA-N
XLogP2.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
CID 174989796
N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide
CID 15097317
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
4-(ethylsulfamoyl)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 46518600
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
N-[4-[(2-ethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 22306495
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255
1-methyl-3-phenylurea;propane
CID 142949663
calcium 2-[[4-(hydroxymethylcarbamoylsulfamoyl)phenyl]carbamoyl]benzoic acid
CID 3085162
1-(4-ethylphenyl)-3-methylurea
CID 54250791
N-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]acetamide
CID 2725688
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
CID 58646054

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide?
The IUPAC name of 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide (CID 23556590) is 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide.
What is the SMILES notation for 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide?
The canonical SMILES for 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide is CCc1ccccc1C(=O)NS(=O)(=O)c1ccc(NC(=O)NC)cc1.
What is the InChIKey of 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide?
The InChIKey is HZCDGCYNCIJWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-12-6-4-5-7-15(12)16(21)20-25(23,24)14-10-8-13(9-11-14)19-17(22)18-2/h4-11H,3H2,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide?
2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide has a molecular weight of 361.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide is sourced from PubChem (CID 23556590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).