1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C18H23N3O4S — CID 22576666

IUPAC1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1
InChIInChI=1S/C18H23N3O4S/c1-14-4-3-5-15(10-14)12-19-18(22)17-11-16(13-20(17)2)26(23,24)21-6-8-25-9-7-21/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,22)
InChIKeyRQWCXLHRGIPNBD-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.28
Rot. Bonds5

About 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22576666) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID22576666
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1
InChIInChI=1S/C18H23N3O4S/c1-14-4-3-5-15(10-14)12-19-18(22)17-11-16(13-20(17)2)26(23,24)21-6-8-25-9-7-21/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,22)
InChIKeyRQWCXLHRGIPNBD-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 22576666) is 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c1.
What is the InChIKey of 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is RQWCXLHRGIPNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-14-4-3-5-15(10-14)12-19-18(22)17-11-16(13-20(17)2)26(23,24)21-6-8-25-9-7-21/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylphenyl)methyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22576666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).