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

C18H23N3O4S — CID 87028674

IUPACN-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C18H23N3O4S/c1-13-6-7-15(17(10-13)25-3)19-18(22)16-11-14(12-20(16)2)26(23,24)21-8-4-5-9-21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyQIEQZEJRMMMOFQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.38
Rot. Bonds5

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

N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 87028674) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID87028674
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C18H23N3O4S/c1-13-6-7-15(17(10-13)25-3)19-18(22)16-11-14(12-20(16)2)26(23,24)21-8-4-5-9-21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyQIEQZEJRMMMOFQ-UHFFFAOYSA-N
XLogP2.38
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 87028674) is N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is COc1cc(C)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is QIEQZEJRMMMOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-6-7-15(17(10-13)25-3)19-18(22)16-11-14(12-20(16)2)26(23,24)21-8-4-5-9-21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22).
What are the key properties of N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 87028674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).