N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C18H23N3O4S — CID 22519059

IUPACN-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1C
InChIInChI=1S/C18H23N3O4S/c1-13-5-4-6-16(14(13)2)19-18(22)17-11-15(12-20(17)3)26(23,24)21-7-9-25-10-8-21/h4-6,11-12H,7-10H2,1-3H3,(H,19,22)
InChIKeyVDLPQBDGPRGICR-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.92
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519059) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519059
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1C
InChIInChI=1S/C18H23N3O4S/c1-13-5-4-6-16(14(13)2)19-18(22)17-11-15(12-20(17)3)26(23,24)21-7-9-25-10-8-21/h4-6,11-12H,7-10H2,1-3H3,(H,19,22)
InChIKeyVDLPQBDGPRGICR-UHFFFAOYSA-N
XLogP1.92
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 22519059) is N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is VDLPQBDGPRGICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-5-4-6-16(14(13)2)19-18(22)17-11-15(12-20(17)3)26(23,24)21-7-9-25-10-8-21/h4-6,11-12H,7-10H2,1-3H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).