N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C19H25N3O4S — CID 86821808

IUPACN-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C19H25N3O4S/c1-3-26-14-15-8-4-5-9-17(15)20-19(23)18-12-16(13-21(18)2)27(24,25)22-10-6-7-11-22/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,20,23)
InChIKeyFOWIUAWCSPSAGK-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.60
Rot. Bonds7

About N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 86821808) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID86821808
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C19H25N3O4S/c1-3-26-14-15-8-4-5-9-17(15)20-19(23)18-12-16(13-21(18)2)27(24,25)22-10-6-7-11-22/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,20,23)
InChIKeyFOWIUAWCSPSAGK-UHFFFAOYSA-N
XLogP2.60
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
N-(2-ethylphenyl)-1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087291
1-methyl-N-(1-methyl-2-oxo-3-pyridinyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 75421055
1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55778849
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55452760
N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
N-[(2-chlorophenyl)methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087222
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55573958
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028674
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55782759

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 86821808) is N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is CCOCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C.
What is the InChIKey of N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is FOWIUAWCSPSAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-26-14-15-8-4-5-9-17(15)20-19(23)18-12-16(13-21(18)2)27(24,25)22-10-6-7-11-22/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 86821808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).