2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C18H22ClN3O5S2 — CID 126137609

IUPAC2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C18H22ClN3O5S2/c1-13-16(19)9-6-10-17(13)22(29(4,26)27)12-18(23)20-14-7-5-8-15(11-14)21(2)28(3,24)25/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyVIITWLHPXHKIBF-UHFFFAOYSA-N
MW459.98 g/mol
LogP2.45
Rot. Bonds7

About 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 126137609) has the molecular formula C18H22ClN3O5S2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID126137609
Molecular FormulaC18H22ClN3O5S2
Molecular Weight459.98 g/mol
Exact Mass459.07
IUPAC Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C18H22ClN3O5S2/c1-13-16(19)9-6-10-17(13)22(29(4,26)27)12-18(23)20-14-7-5-8-15(11-14)21(2)28(3,24)25/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyVIITWLHPXHKIBF-UHFFFAOYSA-N
XLogP2.45
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide 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

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2111546
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338522
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126122522
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314108
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100537477
N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1317361
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2228425
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1315993
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126127010

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 126137609) is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is Cc1c(Cl)cccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is VIITWLHPXHKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S2/c1-13-16(19)9-6-10-17(13)22(29(4,26)27)12-18(23)20-14-7-5-8-15(11-14)21(2)28(3,24)25/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 459.98 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 126137609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).