N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide

C20H27N3O4S — CID 20945545

IUPACN-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1c(C(=O)N2CCOCC2)c(C)n(C)c1C
InChIInChI=1S/C20H27N3O4S/c1-13-7-6-8-14(2)18(13)21-28(25,26)19-16(4)22(5)15(3)17(19)20(24)23-9-11-27-12-10-23/h6-8,21H,9-12H2,1-5H3
InChIKeyCMJZNSYPDUGEGS-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.53
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide

N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945545) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945545
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1c(C(=O)N2CCOCC2)c(C)n(C)c1C
InChIInChI=1S/C20H27N3O4S/c1-13-7-6-8-14(2)18(13)21-28(25,26)19-16(4)22(5)15(3)17(19)20(24)23-9-11-27-12-10-23/h6-8,21H,9-12H2,1-5H3
InChIKeyCMJZNSYPDUGEGS-UHFFFAOYSA-N
XLogP2.53
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 20945533
N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 20945528
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
N-[4-[[1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]phenyl]acetamide
CID 46339462
N-[4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]phenyl]acetamide
CID 46339466
4-(azepane-1-carbonyl)-N-(4-bromo-3-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 20945681
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(3-methylsulfanylphenyl)pyrrole-3-sulfonamide
CID 20945679
N-(3-ethylphenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945473
N-(1,3-benzodioxol-5-yl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945470
1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrole-3-sulfonamide
CID 20945277
N-(2,5-difluorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945274
methyl 4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 20945506

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide (CID 20945545) is N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1c(C(=O)N2CCOCC2)c(C)n(C)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is CMJZNSYPDUGEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-13-7-6-8-14(2)18(13)21-28(25,26)19-16(4)22(5)15(3)17(19)20(24)23-9-11-27-12-10-23/h6-8,21H,9-12H2,1-5H3.
What are the key properties of N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).