N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

C20H25N3O4S2 — CID 53104512

IUPACN-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1
InChIInChI=1S/C20H25N3O4S2/c1-6-26-15-8-9-18(27-7-2)16(10-15)22-29(24,25)19-11-17(23(5)14(19)4)20-21-13(3)12-28-20/h8-12,22H,6-7H2,1-5H3
InChIKeyCWVXPENKRGFLDF-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.36
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 53104512) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID53104512
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC NameN-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1
InChIInChI=1S/C20H25N3O4S2/c1-6-26-15-8-9-18(27-7-2)16(10-15)22-29(24,25)19-11-17(23(5)14(19)4)20-21-13(3)12-28-20/h8-12,22H,6-7H2,1-5H3
InChIKeyCWVXPENKRGFLDF-UHFFFAOYSA-N
XLogP4.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035527
N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035513
N-(2-ethoxyphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835813
N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104479
2-bromo-N-(2,5-diethoxyphenyl)-4-methylbenzenesulfonamide
CID 35530767
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
CID 3868034
N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50841909
N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112129
N-(2-ethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrole-3-sulfonamide
CID 50845233
N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927097
N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126413

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (CID 53104512) is N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is CWVXPENKRGFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-6-26-15-8-9-18(27-7-2)16(10-15)22-29(24,25)19-11-17(23(5)14(19)4)20-21-13(3)12-28-20/h8-12,22H,6-7H2,1-5H3.
What are the key properties of N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 435.57 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53104512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).