N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide

C23H22Cl2N2O5S — CID 67283402

IUPACN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(Cl)ccc3Cl)c2)cc1
InChIInChI=1S/C23H22Cl2N2O5S/c1-27(33(3,29)30)21-11-7-18(26-23(28)15-4-8-19(31-2)9-5-15)13-22(21)32-14-16-12-17(24)6-10-20(16)25/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeySHFBQYJDSBVZSJ-UHFFFAOYSA-N
MW509.41 g/mol
LogP5.23
Rot. Bonds8

About N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide

N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide (PubChem CID 67283402) has the molecular formula C23H22Cl2N2O5S and a molecular weight of 509.41 g/mol. Its IUPAC name is N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
PubChem CID67283402
Molecular FormulaC23H22Cl2N2O5S
Molecular Weight509.41 g/mol
Exact Mass508.06
IUPAC NameN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(Cl)ccc3Cl)c2)cc1
InChIInChI=1S/C23H22Cl2N2O5S/c1-27(33(3,29)30)21-11-7-18(26-23(28)15-4-8-19(31-2)9-5-15)13-22(21)32-14-16-12-17(24)6-10-20(16)25/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeySHFBQYJDSBVZSJ-UHFFFAOYSA-N
XLogP5.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.41
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide
CID 24807243
3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
CID 24807244
4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
CID 24807434
N-[3-(2,5-Dimethoxybenzyloxy)-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 56961782
3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56968625
2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56969065
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 56969289
4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56969726
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethoxybenzamide
CID 56969730
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 56969936
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide
CID 67283362
4-chloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-3-nitrobenzamide
CID 24807245

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide (CID 67283402) is N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(Cl)ccc3Cl)c2)cc1.
What is the InChIKey of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide?
The InChIKey is SHFBQYJDSBVZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O5S/c1-27(33(3,29)30)21-11-7-18(26-23(28)15-4-8-19(31-2)9-5-15)13-22(21)32-14-16-12-17(24)6-10-20(16)25/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide?
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide has a molecular weight of 509.41 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 67283402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).