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

C18H21FN2O3S — CID 100783006

IUPAC(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCCc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-13-4-10-16(11-5-13)20-18(22)12-17(21-25(2,23)24)14-6-8-15(19)9-7-14/h4-11,17,21H,3,12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyCIYLSCRRAPVJKS-QGZVFWFLSA-N
MW364.44 g/mol
LogP3.01
Rot. Bonds7

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

(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 100783006) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID100783006
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
SMILESCCc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-13-4-10-16(11-5-13)20-18(22)12-17(21-25(2,23)24)14-6-8-15(19)9-7-14/h4-11,17,21H,3,12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyCIYLSCRRAPVJKS-QGZVFWFLSA-N
XLogP3.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255165
(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782888
(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]propanamide
CID 100782828
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255156
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
(3S)-N-[(2S)-butan-2-yl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782912
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide (CID 100783006) is (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is CCc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is CIYLSCRRAPVJKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-13-4-10-16(11-5-13)20-18(22)12-17(21-25(2,23)24)14-6-8-15(19)9-7-14/h4-11,17,21H,3,12H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide?
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 364.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 100783006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).