2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

C26H29ClN2O5S — CID 43872110

IUPAC2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C26H29ClN2O5S/c1-18-9-12-22(13-10-18)35(31,32)29(16-21-7-5-6-8-23(21)27)17-26(30)28-19(2)20-11-14-24(33-3)25(15-20)34-4/h5-15,19H,16-17H2,1-4H3,(H,28,30)
InChIKeySPNXQLMQOGBOLV-UHFFFAOYSA-N
MW517.05 g/mol
LogP4.73
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 43872110) has the molecular formula C26H29ClN2O5S and a molecular weight of 517.05 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID43872110
Molecular FormulaC26H29ClN2O5S
Molecular Weight517.05 g/mol
Exact Mass516.15
IUPAC Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C26H29ClN2O5S/c1-18-9-12-22(13-10-18)35(31,32)29(16-21-7-5-6-8-23(21)27)17-26(30)28-19(2)20-11-14-24(33-3)25(15-20)34-4/h5-15,19H,16-17H2,1-4H3,(H,28,30)
InChIKeySPNXQLMQOGBOLV-UHFFFAOYSA-N
XLogP4.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.05
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28545519
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 126070154
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28544716
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871862
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94864077
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305796
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401134
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872175
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044508
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545114
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871849

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 43872110) is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is SPNXQLMQOGBOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O5S/c1-18-9-12-22(13-10-18)35(31,32)29(16-21-7-5-6-8-23(21)27)17-26(30)28-19(2)20-11-14-24(33-3)25(15-20)34-4/h5-15,19H,16-17H2,1-4H3,(H,28,30).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 517.05 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43872110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).