4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide

C18H26N4O4S — CID 95098258

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NC[C@H]2CCCO2)c1C
InChIInChI=1S/C18H26N4O4S/c1-4-22-11(2)15(18-20-17(21-26-18)13-7-8-13)16(12(22)3)27(23,24)19-10-14-6-5-9-25-14/h13-14,19H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyXRHCJJBUPKNQKL-CQSZACIVSA-N
MW394.50 g/mol
LogP2.51
Rot. Bonds7

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide (PubChem CID 95098258) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide
PubChem CID95098258
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NC[C@H]2CCCO2)c1C
InChIInChI=1S/C18H26N4O4S/c1-4-22-11(2)15(18-20-17(21-26-18)13-7-8-13)16(12(22)3)27(23,24)19-10-14-6-5-9-25-14/h13-14,19H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyXRHCJJBUPKNQKL-CQSZACIVSA-N
XLogP2.51
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide with MolForge

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-sulfonamide
CID 53155183
N-benzyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethylpyrrole-3-sulfonamide
CID 53155202
2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682485
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155161
N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide
CID 136663852
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea
CID 71865767
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol
CID 129328010
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63946820
4-methoxy-2,3,5-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1085540

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide (CID 95098258) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide is CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)NC[C@H]2CCCO2)c1C.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide?
The InChIKey is XRHCJJBUPKNQKL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-4-22-11(2)15(18-20-17(21-26-18)13-7-8-13)16(12(22)3)27(23,24)19-10-14-6-5-9-25-14/h13-14,19H,4-10H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 95098258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).