2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

C28H33ClN2O5S — CID 43906271

IUPAC2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2cc(C)c(C)cc2C)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl
InChIInChI=1S/C28H33ClN2O5S/c1-17-8-10-26(36-7)27(12-17)37(33,34)31(22-9-11-25(35-6)24(29)15-22)16-28(32)30-21(5)23-14-19(3)18(2)13-20(23)4/h8-15,21H,16H2,1-7H3,(H,30,32)
InChIKeyPEGDMMVIKZLEQZ-UHFFFAOYSA-N
MW545.10 g/mol
LogP5.66
Rot. Bonds9

About 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 43906271) has the molecular formula C28H33ClN2O5S and a molecular weight of 545.10 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID43906271
Molecular FormulaC28H33ClN2O5S
Molecular Weight545.10 g/mol
Exact Mass544.18
IUPAC Name2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2cc(C)c(C)cc2C)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl
InChIInChI=1S/C28H33ClN2O5S/c1-17-8-10-26(36-7)27(12-17)37(33,34)31(22-9-11-25(35-6)24(29)15-22)16-28(32)30-21(5)23-14-19(3)18(2)13-20(23)4/h8-15,21H,16H2,1-7H3,(H,30,32)
InChIKeyPEGDMMVIKZLEQZ-UHFFFAOYSA-N
XLogP5.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.10
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401519
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94861508
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43894998
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 94861515
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401524
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 94861524
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30307440
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100512668
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28548002
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125078858

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 43906271) is 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is COc1ccc(N(CC(=O)NC(C)c2cc(C)c(C)cc2C)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is PEGDMMVIKZLEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O5S/c1-17-8-10-26(36-7)27(12-17)37(33,34)31(22-9-11-25(35-6)24(29)15-22)16-28(32)30-21(5)23-14-19(3)18(2)13-20(23)4/h8-15,21H,16H2,1-7H3,(H,30,32).
What are the key properties of 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 545.10 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43906271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).