2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C18H22ClN3O5S2 — CID 1314080

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C18H22ClN3O5S2/c1-13-8-9-14(19)10-17(13)22(29(4,26)27)12-18(23)20-15-6-5-7-16(11-15)21(2)28(3,24)25/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyLZVRJQSMRVYPAH-UHFFFAOYSA-N
MW459.98 g/mol
LogP2.45
Rot. Bonds7

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 1314080) has the molecular formula C18H22ClN3O5S2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID1314080
Molecular FormulaC18H22ClN3O5S2
Molecular Weight459.98 g/mol
Exact Mass459.07
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C18H22ClN3O5S2/c1-13-8-9-14(19)10-17(13)22(29(4,26)27)12-18(23)20-15-6-5-7-16(11-15)21(2)28(3,24)25/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyLZVRJQSMRVYPAH-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

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Related Compounds

2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N-{3-[Benzyl-(4-chloro-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512058
2-[(5-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
CID 647018
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide
CID 1148702
N~1~-(3-chloro-2-methylphenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1287742
N-(3-chloro-2-methylphenyl)-2-(N-p-tolylphenylsulfonamido)acetamide
CID 1368921
N-(3-{[(4-chlorobenzyl)sulfonyl]amino}phenyl)acetamide
CID 2228687
N~2~-(3,4-dichlorophenyl)-N~1~-{3-[methyl(methylsulfonyl)amino]phenyl}-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 2233458
N~1~-{2-[(4-chlorobenzyl)thio]ethyl}-N~2~-[(dimethylamino)sulfonyl]-N~2~-phenylglycinamide
CID 2975928
2-[(4-Chloro-phenyl)-methanesulfonyl-amino]-N-(1-phenyl-ethyl)-acetamide
CID 3120123
N-(3-Chloro-4-methylphenyl)-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide
CID 3690816

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 1314080) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is LZVRJQSMRVYPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S2/c1-13-8-9-14(19)10-17(13)22(29(4,26)27)12-18(23)20-15-6-5-7-16(11-15)21(2)28(3,24)25/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-(5-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-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 1314080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).