N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C19H25N3O3S — CID 22518978

IUPACN-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1cccc(C)c1
InChIInChI=1S/C19H25N3O3S/c1-4-22(16-9-7-8-15(2)12-16)19(23)18-13-17(14-20(18)3)26(24,25)21-10-5-6-11-21/h7-9,12-14H,4-6,10-11H2,1-3H3
InChIKeyWGOMQEBSJYMCSG-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.78
Rot. Bonds5

About N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22518978) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID22518978
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1cccc(C)c1
InChIInChI=1S/C19H25N3O3S/c1-4-22(16-9-7-8-15(2)12-16)19(23)18-13-17(14-20(18)3)26(24,25)21-10-5-6-11-21/h7-9,12-14H,4-6,10-11H2,1-3H3
InChIKeyWGOMQEBSJYMCSG-UHFFFAOYSA-N
XLogP2.78
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methyl-N-phenyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18102236
N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 109063269
N,1-dimethyl-N-(4-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 6625756
ethyl 4-[2-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53052097
N,1-dimethyl-N-[(2-methylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 18103125
N-(3-cyanophenyl)-1-methyl-4-piperidin-1-ylsulfonyl-N-propan-2-ylpyrrole-2-carboxamide
CID 60615586
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8909751
N-(2-methoxyphenyl)-N,1-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 22519031
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55955220
N-ethyl-N-(3-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182897
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 22518978) is N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is WGOMQEBSJYMCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-22(16-9-7-8-15(2)12-16)19(23)18-13-17(14-20(18)3)26(24,25)21-10-5-6-11-21/h7-9,12-14H,4-6,10-11H2,1-3H3.
What are the key properties of N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22518978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).