4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide

C20H29N3O4S — CID 43060756

IUPAC4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C(C)c2ccccc2OC)n(C)c1
InChIInChI=1S/C20H29N3O4S/c1-7-23(8-2)28(25,26)16-13-18(21(4)14-16)20(24)22(5)15(3)17-11-9-10-12-19(17)27-6/h9-15H,7-8H2,1-6H3
InChIKeyHSQSSPNFXKWZPV-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.90
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide

4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 43060756) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID43060756
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C(C)c2ccccc2OC)n(C)c1
InChIInChI=1S/C20H29N3O4S/c1-7-23(8-2)28(25,26)16-13-18(21(4)14-16)20(24)22(5)15(3)17-11-9-10-12-19(17)27-6/h9-15H,7-8H2,1-6H3
InChIKeyHSQSSPNFXKWZPV-UHFFFAOYSA-N
XLogP2.90
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 55463014
4-(diethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 16574101
4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 34162390
4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 51265193
[2-(difluoromethoxy)phenyl]methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 46544901
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 22515821
2-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55409476
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
4-(diethylsulfamoyl)-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 41102992
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 54878609

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide (CID 43060756) is 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C(C)c2ccccc2OC)n(C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is HSQSSPNFXKWZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-7-23(8-2)28(25,26)16-13-18(21(4)14-16)20(24)22(5)15(3)17-11-9-10-12-19(17)27-6/h9-15H,7-8H2,1-6H3.
What are the key properties of 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 43060756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).