2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide

C24H25ClN2O5S — CID 100797990

IUPAC2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C24H25ClN2O5S/c1-26(20-10-7-11-21(15-20)31-2)24(28)17-27(16-18-8-5-4-6-9-18)33(29,30)23-14-19(25)12-13-22(23)32-3/h4-15H,16-17H2,1-3H3
InChIKeyBKOJAHIRWBZTDC-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.21
Rot. Bonds9

About 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide

2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 100797990) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID100797990
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C24H25ClN2O5S/c1-26(20-10-7-11-21(15-20)31-2)24(28)17-27(16-18-8-5-4-6-9-18)33(29,30)23-14-19(25)12-13-22(23)32-3/h4-15H,16-17H2,1-3H3
InChIKeyBKOJAHIRWBZTDC-UHFFFAOYSA-N
XLogP4.21
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
CID 3646997
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100791352
5-chloro-2-methoxy-N-[(3-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934374
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 100799319
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94861549
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797112
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100798512
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100792892
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 4563517

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide (CID 100797990) is 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is BKOJAHIRWBZTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-26(20-10-7-11-21(15-20)31-2)24(28)17-27(16-18-8-5-4-6-9-18)33(29,30)23-14-19(25)12-13-22(23)32-3/h4-15H,16-17H2,1-3H3.
What are the key properties of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide?
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 488.99 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100797990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).