N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide

C18H22N2O4S — CID 2440554

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(2)25(22,23)17-11-7-15(8-12-17)19-18(21)13-6-14-4-9-16(24-3)10-5-14/h4-5,7-12H,6,13H2,1-3H3,(H,19,21)
InChIKeyDNYLLQNQVSQAQS-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.52
Rot. Bonds7

About N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide

N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 2440554) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID2440554
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(2)25(22,23)17-11-7-15(8-12-17)19-18(21)13-6-14-4-9-16(24-3)10-5-14/h4-5,7-12H,6,13H2,1-3H3,(H,19,21)
InChIKeyDNYLLQNQVSQAQS-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 3317798
N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557411
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17310703
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557405
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide (CID 2440554) is N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is DNYLLQNQVSQAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(2)25(22,23)17-11-7-15(8-12-17)19-18(21)13-6-14-4-9-16(24-3)10-5-14/h4-5,7-12H,6,13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2440554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).