N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide

C24H30FN5O4S — CID 21061357

IUPACN-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
SMILESCCCCC(N)c1nc(-c2cccc(S(=O)(=O)Nc3cccc(NC(=O)C(C)(C)CF)c3)c2)no1
InChIInChI=1S/C24H30FN5O4S/c1-4-5-12-20(26)22-28-21(29-34-22)16-8-6-11-19(13-16)35(32,33)30-18-10-7-9-17(14-18)27-23(31)24(2,3)15-25/h6-11,13-14,20,30H,4-5,12,15,26H2,1-3H3,(H,27,31)
InChIKeySECHQRFZXSXRCR-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.66
Rot. Bonds11

About N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide

N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide (PubChem CID 21061357) has the molecular formula C24H30FN5O4S and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
PubChem CID21061357
Molecular FormulaC24H30FN5O4S
Molecular Weight503.60 g/mol
Exact Mass503.20
IUPAC NameN-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
SMILESCCCCC(N)c1nc(-c2cccc(S(=O)(=O)Nc3cccc(NC(=O)C(C)(C)CF)c3)c2)no1
InChIInChI=1S/C24H30FN5O4S/c1-4-5-12-20(26)22-28-21(29-34-22)16-8-6-11-19(13-16)35(32,33)30-18-10-7-9-17(14-18)27-23(31)24(2,3)15-25/h6-11,13-14,20,30H,4-5,12,15,26H2,1-3H3,(H,27,31)
InChIKeySECHQRFZXSXRCR-UHFFFAOYSA-N
XLogP4.66
TPSA140.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-[5-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 58714475
N-[3-[[4-[5-[2-(3-aminopropylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061388
3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060695
N-[3-[[4-[5-(1,5-diaminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061350
3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060727
N-[3-[[4-[5-(1-amino-4-methylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061380
3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060725
N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 58714490
(1S)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057410
3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide;propane
CID 142181031
(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103832310
N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061433

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide (CID 21061357) is N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide is CCCCC(N)c1nc(-c2cccc(S(=O)(=O)Nc3cccc(NC(=O)C(C)(C)CF)c3)c2)no1.
What is the InChIKey of N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide?
The InChIKey is SECHQRFZXSXRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4S/c1-4-5-12-20(26)22-28-21(29-34-22)16-8-6-11-19(13-16)35(32,33)30-18-10-7-9-17(14-18)27-23(31)24(2,3)15-25/h6-11,13-14,20,30H,4-5,12,15,26H2,1-3H3,(H,27,31).
What are the key properties of N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide?
N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide has a molecular weight of 503.60 g/mol, XLogP of 4.66, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 21061357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).