N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide

C19H23N3O4S — CID 2093173

IUPACN,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-22(5-2)27(25,26)17-12-10-16(11-13-17)19(24)21-20-18(23)15-8-6-14(3)7-9-15/h6-13H,4-5H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySLTGFSPEFRDTHL-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.10
Rot. Bonds6

About N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide

N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 2093173) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID2093173
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-22(5-2)27(25,26)17-12-10-16(11-13-17)19(24)21-20-18(23)15-8-6-14(3)7-9-15/h6-13H,4-5H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySLTGFSPEFRDTHL-UHFFFAOYSA-N
XLogP2.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]benzoic acid
CID 100553237
4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide (CID 2093173) is N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is SLTGFSPEFRDTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-22(5-2)27(25,26)17-12-10-16(11-13-17)19(24)21-20-18(23)15-8-6-14(3)7-9-15/h6-13H,4-5H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 2093173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).