2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide

C26H29ClN2O6S — CID 94861549

IUPAC2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C26H29ClN2O6S/c1-18(20-10-12-22(33-2)24(14-20)35-4)28-26(30)17-29(16-19-8-6-5-7-9-19)36(31,32)25-15-21(27)11-13-23(25)34-3/h5-15,18H,16-17H2,1-4H3,(H,28,30)/t18-/m0/s1
InChIKeyBTSIYHVDHNKKCQ-SFHVURJKSA-N
MW533.05 g/mol
LogP4.43
Rot. Bonds11

About 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 94861549) has the molecular formula C26H29ClN2O6S and a molecular weight of 533.05 g/mol. Its IUPAC name is 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID94861549
Molecular FormulaC26H29ClN2O6S
Molecular Weight533.05 g/mol
Exact Mass532.14
IUPAC Name2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C26H29ClN2O6S/c1-18(20-10-12-22(33-2)24(14-20)35-4)28-26(30)17-29(16-19-8-6-5-7-9-19)36(31,32)25-15-21(27)11-13-23(25)34-3/h5-15,18H,16-17H2,1-4H3,(H,28,30)/t18-/m0/s1
InChIKeyBTSIYHVDHNKKCQ-SFHVURJKSA-N
XLogP4.43
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.05
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546764
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872365
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547319
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28544716
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872175
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546834
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30145867
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544415
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide
CID 4693114
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 100799319

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 94861549) is 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC.
What is the InChIKey of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is BTSIYHVDHNKKCQ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29ClN2O6S/c1-18(20-10-12-22(33-2)24(14-20)35-4)28-26(30)17-29(16-19-8-6-5-7-9-19)36(31,32)25-15-21(27)11-13-23(25)34-3/h5-15,18H,16-17H2,1-4H3,(H,28,30)/t18-/m0/s1.
What are the key properties of 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 533.05 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 94861549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).