(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C17H19FN2O4S — CID 100784349

IUPAC(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O4S/c1-24-15-9-3-12(4-10-15)16(20-25(2,22)23)11-17(21)19-14-7-5-13(18)6-8-14/h3-10,16,20H,11H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyZKIGGIFQOXKEFS-MRXNPFEDSA-N
MW366.41 g/mol
LogP2.45
Rot. Bonds7

About (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 100784349) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID100784349
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O4S/c1-24-15-9-3-12(4-10-15)16(20-25(2,22)23)11-17(21)19-14-7-5-13(18)6-8-14/h3-10,16,20H,11H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyZKIGGIFQOXKEFS-MRXNPFEDSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
(3S)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784326
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255165
N-[4-(1-cyanocyclopropyl)phenyl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255378
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N-(1,2-benzothiazol-5-yl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255363

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 100784349) is (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)NS(C)(=O)=O)cc1.
What is the InChIKey of (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is ZKIGGIFQOXKEFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-24-15-9-3-12(4-10-15)16(20-25(2,22)23)11-17(21)19-14-7-5-13(18)6-8-14/h3-10,16,20H,11H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 366.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 100784349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).