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

C23H28N4O5S — CID 100784150

IUPAC(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C23H28N4O5S/c1-15(2)23-25-21(26-32-23)13-16-5-9-18(10-6-16)24-22(28)14-20(27-33(4,29)30)17-7-11-19(31-3)12-8-17/h5-12,15,20,27H,13-14H2,1-4H3,(H,24,28)/t20-/m1/s1
InChIKeyQDCVCPYUEKOAFK-HXUWFJFHSA-N
MW472.57 g/mol
LogP3.41
Rot. Bonds10

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

(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide (PubChem CID 100784150) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
PubChem CID100784150
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C23H28N4O5S/c1-15(2)23-25-21(26-32-23)13-16-5-9-18(10-6-16)24-22(28)14-20(27-33(4,29)30)17-7-11-19(31-3)12-8-17/h5-12,15,20,27H,13-14H2,1-4H3,(H,24,28)/t20-/m1/s1
InChIKeyQDCVCPYUEKOAFK-HXUWFJFHSA-N
XLogP3.41
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
CID 100782828
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100800834
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
(3S)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784326
N-[4-(1-cyanocyclopropyl)phenyl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255378
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100801003
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
N-(1,2-benzothiazol-5-yl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255363

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide?
The IUPAC name of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide (CID 100784150) is (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide.
What is the SMILES notation for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide?
The canonical SMILES for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide is COc1ccc([C@@H](CC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)NS(C)(=O)=O)cc1.
What is the InChIKey of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide?
The InChIKey is QDCVCPYUEKOAFK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-15(2)23-25-21(26-32-23)13-16-5-9-18(10-6-16)24-22(28)14-20(27-33(4,29)30)17-7-11-19(31-3)12-8-17/h5-12,15,20,27H,13-14H2,1-4H3,(H,24,28)/t20-/m1/s1.
What are the key properties of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide?
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide has a molecular weight of 472.57 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 100784150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).