1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C17H21N3O4S2 — CID 17407087

IUPAC1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C17H21N3O4S2/c1-19-12-15(26(22,23)20-7-9-24-10-8-20)11-16(19)17(21)18-13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)
InChIKeyZPDPKXILEKACRP-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.02
Rot. Bonds5

About 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17407087) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID17407087
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C17H21N3O4S2/c1-19-12-15(26(22,23)20-7-9-24-10-8-20)11-16(19)17(21)18-13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)
InChIKeyZPDPKXILEKACRP-UHFFFAOYSA-N
XLogP2.02
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22576668
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17405267
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24532844

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 17407087) is 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is CSc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1.
What is the InChIKey of 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is ZPDPKXILEKACRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-19-12-15(26(22,23)20-7-9-24-10-8-20)11-16(19)17(21)18-13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17407087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).