N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

C20H27N3O4S — CID 20945312

IUPACN-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCC3)c(C)n(C)c2C)cc1
InChIInChI=1S/C20H27N3O4S/c1-14-18(20(24)23-11-5-6-12-23)19(15(2)22(14)3)28(25,26)21-13-16-7-9-17(27-4)10-8-16/h7-10,21H,5-6,11-13H2,1-4H3
InChIKeyPXBAORAUOJFXLN-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.37
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide

N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945312) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945312
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCC3)c(C)n(C)c2C)cc1
InChIInChI=1S/C20H27N3O4S/c1-14-18(20(24)23-11-5-6-12-23)19(15(2)22(14)3)28(25,26)21-13-16-7-9-17(27-4)10-8-16/h7-10,21H,5-6,11-13H2,1-4H3
InChIKeyPXBAORAUOJFXLN-UHFFFAOYSA-N
XLogP2.37
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-sulfonamide
CID 20945650
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945519
4-(azepane-1-carbonyl)-N-(3,4-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 20945618
2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945071
methyl 4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 20945506
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945230
N-(5-chloro-2-methoxyphenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945354
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
N-(3-ethylphenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945473
ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586150
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide (CID 20945312) is N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is COc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCC3)c(C)n(C)c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is PXBAORAUOJFXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-14-18(20(24)23-11-5-6-12-23)19(15(2)22(14)3)28(25,26)21-13-16-7-9-17(27-4)10-8-16/h7-10,21H,5-6,11-13H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide?
N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).