N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C20H26N4O4S — CID 55782759

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1
InChIInChI=1S/C20H26N4O4S/c1-4-21-19(25)15-8-7-14(2)17(11-15)22-20(26)18-12-16(13-23(18)3)29(27,28)24-9-5-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyPAMHJMYWPLBGIS-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.12
Rot. Bonds6

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55782759) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55782759
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1
InChIInChI=1S/C20H26N4O4S/c1-4-21-19(25)15-8-7-14(2)17(11-15)22-20(26)18-12-16(13-23(18)3)29(27,28)24-9-5-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyPAMHJMYWPLBGIS-UHFFFAOYSA-N
XLogP2.12
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24675949
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
1-methyl-N-(1-methyl-2-oxo-3-pyridinyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 75421055
N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028674
N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 86821808
N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
N-(4-chloro-2-fluorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087240
1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55573958
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55782759) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is PAMHJMYWPLBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-4-21-19(25)15-8-7-14(2)17(11-15)22-20(26)18-12-16(13-23(18)3)29(27,28)24-9-5-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55782759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).