5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole

C18H28N4O5S — CID 47079198

IUPAC5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOCCN(CCOC)S(=O)(=O)NC(c1nc(-c2ccccc2)no1)C(C)C
InChIInChI=1S/C18H28N4O5S/c1-14(2)16(18-19-17(20-27-18)15-8-6-5-7-9-15)21-28(23,24)22(10-12-25-3)11-13-26-4/h5-9,14,16,21H,10-13H2,1-4H3
InChIKeyIVPLKZHZWCBQOC-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.86
Rot. Bonds12

About 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole

5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 47079198) has the molecular formula C18H28N4O5S and a molecular weight of 412.51 g/mol. Its IUPAC name is 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID47079198
Molecular FormulaC18H28N4O5S
Molecular Weight412.51 g/mol
Exact Mass412.18
IUPAC Name5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOCCN(CCOC)S(=O)(=O)NC(c1nc(-c2ccccc2)no1)C(C)C
InChIInChI=1S/C18H28N4O5S/c1-14(2)16(18-19-17(20-27-18)15-8-6-5-7-9-15)21-28(23,24)22(10-12-25-3)11-13-26-4/h5-9,14,16,21H,10-13H2,1-4H3
InChIKeyIVPLKZHZWCBQOC-UHFFFAOYSA-N
XLogP1.86
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 42376741
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62478427
2-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81077940
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 118984571
2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 83279735
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
3-chloro-5-ethoxy-4-hydroxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 75457095
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
3,5-dichloro-4-ethoxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 118984725

Frequently Asked Questions

What is the IUPAC name of 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole (CID 47079198) is 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole is COCCN(CCOC)S(=O)(=O)NC(c1nc(-c2ccccc2)no1)C(C)C.
What is the InChIKey of 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is IVPLKZHZWCBQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5S/c1-14(2)16(18-19-17(20-27-18)15-8-6-5-7-9-15)21-28(23,24)22(10-12-25-3)11-13-26-4/h5-9,14,16,21H,10-13H2,1-4H3.
What are the key properties of 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole?
5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 412.51 g/mol, XLogP of 1.86, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[bis(2-methoxyethyl)sulfamoylamino]-2-methylpropyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 47079198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).