(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide

C22H25FN4O4S — CID 100782828

IUPAC(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
SMILESCC(C)c1nc(Cc2ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c3ccc(F)cc3)cc2)no1
InChIInChI=1S/C22H25FN4O4S/c1-14(2)22-25-20(26-31-22)12-15-4-10-18(11-5-15)24-21(28)13-19(27-32(3,29)30)16-6-8-17(23)9-7-16/h4-11,14,19,27H,12-13H2,1-3H3,(H,24,28)/t19-/m1/s1
InChIKeyOOVAQZOCLDYMEK-LJQANCHMSA-N
MW460.53 g/mol
LogP3.54
Rot. Bonds9

About (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide

(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide (PubChem CID 100782828) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
PubChem CID100782828
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC Name(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
SMILESCC(C)c1nc(Cc2ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c3ccc(F)cc3)cc2)no1
InChIInChI=1S/C22H25FN4O4S/c1-14(2)22-25-20(26-31-22)12-15-4-10-18(11-5-15)24-21(28)13-19(27-32(3,29)30)16-6-8-17(23)9-7-16/h4-11,14,19,27H,12-13H2,1-3H3,(H,24,28)/t19-/m1/s1
InChIKeyOOVAQZOCLDYMEK-LJQANCHMSA-N
XLogP3.54
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
CID 100784150
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255165
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
N-(1,2-benzothiazol-5-yl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255091
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100797740
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255156

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide (CID 100782828) is (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide is CC(C)c1nc(Cc2ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c3ccc(F)cc3)cc2)no1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide?
The InChIKey is OOVAQZOCLDYMEK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-14(2)22-25-20(26-31-22)12-15-4-10-18(11-5-15)24-21(28)13-19(27-32(3,29)30)16-6-8-17(23)9-7-16/h4-11,14,19,27H,12-13H2,1-3H3,(H,24,28)/t19-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide?
(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide has a molecular weight of 460.53 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 100782828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).