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

C19H25N3O4S — CID 22519090

IUPAC1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C19H25N3O4S/c1-15-3-5-16(6-4-15)7-8-20-19(23)18-13-17(14-21(18)2)27(24,25)22-9-11-26-12-10-22/h3-6,13-14H,7-12H2,1-2H3,(H,20,23)
InChIKeyXBSXYSVWBWHPOR-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.33
Rot. Bonds6

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

1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519090) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519090
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C19H25N3O4S/c1-15-3-5-16(6-4-15)7-8-20-19(23)18-13-17(14-21(18)2)27(24,25)22-9-11-26-12-10-22/h3-6,13-14H,7-12H2,1-2H3,(H,20,23)
InChIKeyXBSXYSVWBWHPOR-UHFFFAOYSA-N
XLogP1.33
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519058
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17405267
N'-[2-[(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)amino]ethyl]-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
CID 166401640
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 2671800
4-methyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3,5-dinitrobenzamide
CID 108736594
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24532722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 22519090) is 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1.
What is the InChIKey of 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is XBSXYSVWBWHPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-15-3-5-16(6-4-15)7-8-20-19(23)18-13-17(14-21(18)2)27(24,25)22-9-11-26-12-10-22/h3-6,13-14H,7-12H2,1-2H3,(H,20,23).
What are the key properties of 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).