5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

C22H24N2O4S — CID 59807994

IUPAC5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c(C)c(C(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cn1C
InChIInChI=1S/C22H24N2O4S/c1-15-19(14-23(2)21(15)18-8-6-7-9-20(18)28-4)22(25)24(3)16-10-12-17(13-11-16)29(5,26)27/h6-14H,1-5H3
InChIKeyLBYDSERUAQEVBK-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.69
Rot. Bonds5

About 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide (PubChem CID 59807994) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
PubChem CID59807994
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c(C)c(C(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cn1C
InChIInChI=1S/C22H24N2O4S/c1-15-19(14-23(2)21(15)18-8-6-7-9-20(18)28-4)22(25)24(3)16-10-12-17(13-11-16)29(5,26)27/h6-14H,1-5H3
InChIKeyLBYDSERUAQEVBK-UHFFFAOYSA-N
XLogP3.69
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide (CID 59807994) is 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide is COc1ccccc1-c1c(C)c(C(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cn1C.
What is the InChIKey of 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The InChIKey is LBYDSERUAQEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15-19(14-23(2)21(15)18-8-6-7-9-20(18)28-4)22(25)24(3)16-10-12-17(13-11-16)29(5,26)27/h6-14H,1-5H3.
What are the key properties of 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N,1,4-trimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 59807994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).