3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide

C19H22Cl2N2O4S — CID 100602358

IUPAC3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-12(2)23-28(25,26)13-7-9-18(27-3)17(11-13)22-19(24)10-8-14-15(20)5-4-6-16(14)21/h4-7,9,11-12,23H,8,10H2,1-3H3,(H,22,24)
InChIKeySAYSODCNTOIPPF-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.26
Rot. Bonds8

About 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide

3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 100602358) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID100602358
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-12(2)23-28(25,26)13-7-9-18(27-3)17(11-13)22-19(24)10-8-14-15(20)5-4-6-16(14)21/h4-7,9,11-12,23H,8,10H2,1-3H3,(H,22,24)
InChIKeySAYSODCNTOIPPF-UHFFFAOYSA-N
XLogP4.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43909499
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 43904662
(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 92679623
2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 46763080
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 99959178
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43885181
N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 3661392
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92684341
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 100602358) is 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is SAYSODCNTOIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-12(2)23-28(25,26)13-7-9-18(27-3)17(11-13)22-19(24)10-8-14-15(20)5-4-6-16(14)21/h4-7,9,11-12,23H,8,10H2,1-3H3,(H,22,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide?
3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 445.37 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 100602358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).