(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide

C19H23FN2O3S — CID 100783011

IUPAC(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-13(2)14-6-10-17(11-7-14)21-19(23)12-18(22-26(3,24)25)15-4-8-16(20)9-5-15/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyARRQZECEHRYCFN-SFHVURJKSA-N
MW378.47 g/mol
LogP3.57
Rot. Bonds7

About (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide

(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 100783011) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID100783011
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-13(2)14-6-10-17(11-7-14)21-19(23)12-18(22-26(3,24)25)15-4-8-16(20)9-5-15/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyARRQZECEHRYCFN-SFHVURJKSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(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-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
(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
(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782888
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide (CID 100783011) is (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is ARRQZECEHRYCFN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-13(2)14-6-10-17(11-7-14)21-19(23)12-18(22-26(3,24)25)15-4-8-16(20)9-5-15/h4-11,13,18,22H,12H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide?
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 100783011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).