N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide

C24H29N5O4S — CID 58714490

IUPACN-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC(C)C[C@H](N)c1nc(-c2cccc(S(=O)(=O)Nc3ccc(NC(=O)C4(C)CC4)cc3)c2)no1
InChIInChI=1S/C24H29N5O4S/c1-15(2)13-20(25)22-27-21(28-33-22)16-5-4-6-19(14-16)34(31,32)29-18-9-7-17(8-10-18)26-23(30)24(3)11-12-24/h4-10,14-15,20,29H,11-13,25H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyQEJSKKLJRSUJNN-FQEVSTJZSA-N
MW483.59 g/mol
LogP4.32
Rot. Bonds9

About N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide

N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 58714490) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID58714490
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC(C)C[C@H](N)c1nc(-c2cccc(S(=O)(=O)Nc3ccc(NC(=O)C4(C)CC4)cc3)c2)no1
InChIInChI=1S/C24H29N5O4S/c1-15(2)13-20(25)22-27-21(28-33-22)16-5-4-6-19(14-16)34(31,32)29-18-9-7-17(8-10-18)26-23(30)24(3)11-12-24/h4-10,14-15,20,29H,11-13,25H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyQEJSKKLJRSUJNN-FQEVSTJZSA-N
XLogP4.32
TPSA140.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-[5-(1-amino-4-methylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061380
1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 58714481
N-[3-[[4-[5-(1,5-diaminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061350
[5-azaniumyl-1-[3-[4-[[3-[(1-methylcyclopropanecarbonyl)amino]phenyl]sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]pentyl]azanium
CID 21061349
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201
N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061357
N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21060751
3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 142211280
N-[4-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 6492266
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 81492063
N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042625
4-[5-[(1R)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775541

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide (CID 58714490) is N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide is CC(C)C[C@H](N)c1nc(-c2cccc(S(=O)(=O)Nc3ccc(NC(=O)C4(C)CC4)cc3)c2)no1.
What is the InChIKey of N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is QEJSKKLJRSUJNN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-15(2)13-20(25)22-27-21(28-33-22)16-5-4-6-19(14-16)34(31,32)29-18-9-7-17(8-10-18)26-23(30)24(3)11-12-24/h4-10,14-15,20,29H,11-13,25H2,1-3H3,(H,26,30)/t20-/m0/s1.
What are the key properties of N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 4.32, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 58714490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).