N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide

C23H31N3O7S — CID 2803375

IUPACN,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H31N3O7S/c1-6-12-26(13-7-2)34(29,30)18-10-8-16(9-11-18)22(27)24-25-23(28)17-14-19(31-3)21(33-5)20(15-17)32-4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyROYNAZHCJKSIPZ-UHFFFAOYSA-N
MW493.58 g/mol
LogP2.60
Rot. Bonds11

About N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide

N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 2803375) has the molecular formula C23H31N3O7S and a molecular weight of 493.58 g/mol. Its IUPAC name is N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID2803375
Molecular FormulaC23H31N3O7S
Molecular Weight493.58 g/mol
Exact Mass493.19
IUPAC NameN,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H31N3O7S/c1-6-12-26(13-7-2)34(29,30)18-10-8-16(9-11-18)22(27)24-25-23(28)17-14-19(31-3)21(33-5)20(15-17)32-4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyROYNAZHCJKSIPZ-UHFFFAOYSA-N
XLogP2.60
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide (CID 2803375) is N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is ROYNAZHCJKSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7S/c1-6-12-26(13-7-2)34(29,30)18-10-8-16(9-11-18)22(27)24-25-23(28)17-14-19(31-3)21(33-5)20(15-17)32-4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 493.58 g/mol, XLogP of 2.60, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 2803375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).