N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide

C25H26Cl2N2O5S — CID 43885129

IUPACN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OCC
InChIInChI=1S/C25H26Cl2N2O5S/c1-3-33-23-11-5-17(13-24(23)34-4-2)6-12-25(30)28-20-7-9-22(10-8-20)35(31,32)29-21-15-18(26)14-19(27)16-21/h5,7-11,13-16,29H,3-4,6,12H2,1-2H3,(H,28,30)
InChIKeyFFRRSJCIXTXNOM-UHFFFAOYSA-N
MW537.47 g/mol
LogP6.16
Rot. Bonds11

About N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide (PubChem CID 43885129) has the molecular formula C25H26Cl2N2O5S and a molecular weight of 537.47 g/mol. Its IUPAC name is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide
PubChem CID43885129
Molecular FormulaC25H26Cl2N2O5S
Molecular Weight537.47 g/mol
Exact Mass536.09
IUPAC NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OCC
InChIInChI=1S/C25H26Cl2N2O5S/c1-3-33-23-11-5-17(13-24(23)34-4-2)6-12-25(30)28-20-7-9-22(10-8-20)35(31,32)29-21-15-18(26)14-19(27)16-21/h5,7-11,13-16,29H,3-4,6,12H2,1-2H3,(H,28,30)
InChIKeyFFRRSJCIXTXNOM-UHFFFAOYSA-N
XLogP6.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.47
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19236968
4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonic acid
CID 4143684
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
CID 8851611
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126183320
3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide
CID 19221776
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221846
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730938
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71822991

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide?
The IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide (CID 43885129) is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide?
The canonical SMILES for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OCC.
What is the InChIKey of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide?
The InChIKey is FFRRSJCIXTXNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O5S/c1-3-33-23-11-5-17(13-24(23)34-4-2)6-12-25(30)28-20-7-9-22(10-8-20)35(31,32)29-21-15-18(26)14-19(27)16-21/h5,7-11,13-16,29H,3-4,6,12H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide?
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide has a molecular weight of 537.47 g/mol, XLogP of 6.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide is sourced from PubChem (CID 43885129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).