N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide

C20H23ClN2O5S — CID 55364569

IUPACN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1
InChIInChI=1S/C20H23ClN2O5S/c1-27-16-7-5-14(18(13-16)28-2)11-20(24)22-15-6-8-17(21)19(12-15)29(25,26)23-9-3-4-10-23/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24)
InChIKeyYFSVBJGGGZUEMG-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.32
Rot. Bonds7

About N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 55364569) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID55364569
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1
InChIInChI=1S/C20H23ClN2O5S/c1-27-16-7-5-14(18(13-16)28-2)11-20(24)22-15-6-8-17(21)19(12-15)29(25,26)23-9-3-4-10-23/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24)
InChIKeyYFSVBJGGGZUEMG-UHFFFAOYSA-N
XLogP3.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
2-(2,4-dimethoxyphenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 46809551
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide (CID 55364569) is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1.
What is the InChIKey of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is YFSVBJGGGZUEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-27-16-7-5-14(18(13-16)28-2)11-20(24)22-15-6-8-17(21)19(12-15)29(25,26)23-9-3-4-10-23/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide?
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 438.93 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 55364569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).