N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide

C24H29N3O4S — CID 31911264

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H29N3O4S/c1-4-27(5-2)32(29,30)21-13-14-23(31-6-3)22(18-21)25-24(28)17-19-9-11-20(12-10-19)26-15-7-8-16-26/h7-16,18H,4-6,17H2,1-3H3,(H,25,28)
InChIKeyLIGUTDUWTSOIDT-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.09
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 31911264) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID31911264
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H29N3O4S/c1-4-27(5-2)32(29,30)21-13-14-23(31-6-3)22(18-21)25-24(28)17-19-9-11-20(12-10-19)26-15-7-8-16-26/h7-16,18H,4-6,17H2,1-3H3,(H,25,28)
InChIKeyLIGUTDUWTSOIDT-UHFFFAOYSA-N
XLogP4.09
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911227
2-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]acetamide
CID 8501669
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea
CID 8683228
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
CID 26891804
trans-[2-[5-(diethylsulfamoyl)-2-ethoxyanilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230478
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509301
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide (CID 31911264) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is LIGUTDUWTSOIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-4-27(5-2)32(29,30)21-13-14-23(31-6-3)22(18-21)25-24(28)17-19-9-11-20(12-10-19)26-15-7-8-16-26/h7-16,18H,4-6,17H2,1-3H3,(H,25,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 31911264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).