N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide

C23H22ClN3O5S — CID 31322107

IUPACN-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)ccc1Cl
InChIInChI=1S/C23H22ClN3O5S/c1-15-12-20(10-11-21(15)24)32-14-16-6-8-17(9-7-16)22(28)25-26-23(29)18-4-3-5-19(13-18)27-33(2,30)31/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyNUSLXJAADZPOKM-UHFFFAOYSA-N
MW487.97 g/mol
LogP3.67
Rot. Bonds7

About N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide

N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide (PubChem CID 31322107) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
PubChem CID31322107
Molecular FormulaC23H22ClN3O5S
Molecular Weight487.97 g/mol
Exact Mass487.10
IUPAC NameN-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
SMILESCc1cc(OCc2ccc(C(=O)NNC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)ccc1Cl
InChIInChI=1S/C23H22ClN3O5S/c1-15-12-20(10-11-21(15)24)32-14-16-6-8-17(9-7-16)22(28)25-26-23(29)18-4-3-5-19(13-18)27-33(2,30)31/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyNUSLXJAADZPOKM-UHFFFAOYSA-N
XLogP3.67
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 18289024
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
CID 24537801
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-(2-methoxyethyl)thiourea
CID 8626240
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
1-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-3-cyclopropylthiourea
CID 8626251
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzamide
CID 7930001
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
N-[1-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 24658052
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 24606049
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55756044
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31726265

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide (CID 31322107) is N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide is Cc1cc(OCc2ccc(C(=O)NNC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)ccc1Cl.
What is the InChIKey of N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide?
The InChIKey is NUSLXJAADZPOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c1-15-12-20(10-11-21(15)24)32-14-16-6-8-17(9-7-16)22(28)25-26-23(29)18-4-3-5-19(13-18)27-33(2,30)31/h3-13,27H,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide?
N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide has a molecular weight of 487.97 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 31322107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).