1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

C20H29N3O4S — CID 7599929

IUPAC1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCCn1c(C)cc(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1C
InChIInChI=1S/C20H29N3O4S/c1-6-11-23-15(4)12-18(16(23)5)19(24)14-21-13-17(9-10-20(21)25)28(26,27)22(7-2)8-3/h9-10,12-13H,6-8,11,14H2,1-5H3
InChIKeyLBOBNTRZRYXDQO-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.59
Rot. Bonds9

About 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (PubChem CID 7599929) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
PubChem CID7599929
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCCn1c(C)cc(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1C
InChIInChI=1S/C20H29N3O4S/c1-6-11-23-15(4)12-18(16(23)5)19(24)14-21-13-17(9-10-20(21)25)28(26,27)22(7-2)8-3/h9-10,12-13H,6-8,11,14H2,1-5H3
InChIKeyLBOBNTRZRYXDQO-UHFFFAOYSA-N
XLogP2.59
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide with MolForge

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Related Compounds

1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 38867319
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N,N-dipropylacetamide
CID 55400476
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8688221
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
CID 9399528
N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide
CID 122508188
N-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 43008462
phenacyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
CID 7977627
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327
N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16546169
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51215892
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124
N-(5-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (CID 7599929) is 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is CCCn1c(C)cc(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1C.
What is the InChIKey of 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is LBOBNTRZRYXDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-6-11-23-15(4)12-18(16(23)5)19(24)14-21-13-17(9-10-20(21)25)28(26,27)22(7-2)8-3/h9-10,12-13H,6-8,11,14H2,1-5H3.
What are the key properties of 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 2.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 7599929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).