(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide

C23H32N2O4S — CID 125054899

IUPAC(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide
SMILESC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1
InChIInChI=1S/C23H32N2O4S/c1-17(16-23(3,4)19-10-8-7-9-11-19)24-22(26)18(2)29-21-14-12-20(13-15-21)25(5)30(6,27)28/h7-15,17-18H,16H2,1-6H3,(H,24,26)/t17-,18-/m0/s1
InChIKeyWTTVNWNGZPLAMH-ROUUACIJSA-N
MW432.59 g/mol
LogP3.72
Rot. Bonds9

About (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide

(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide (PubChem CID 125054899) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide
PubChem CID125054899
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide
SMILESC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1
InChIInChI=1S/C23H32N2O4S/c1-17(16-23(3,4)19-10-8-7-9-11-19)24-22(26)18(2)29-21-14-12-20(13-15-21)25(5)30(6,27)28/h7-15,17-18H,16H2,1-6H3,(H,24,26)/t17-,18-/m0/s1
InChIKeyWTTVNWNGZPLAMH-ROUUACIJSA-N
XLogP3.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]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

(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 125059427
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100561256
N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133185593
(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100754867
(2R)-N-(2-tert-butylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100623528
(2R)-N-[(2-chlorophenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100656988
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 125058049
4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide
CID 133202217
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 100627834
N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133228152

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide?
The IUPAC name of (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide (CID 125054899) is (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide is C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1.
What is the InChIKey of (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide?
The InChIKey is WTTVNWNGZPLAMH-ROUUACIJSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-17(16-23(3,4)19-10-8-7-9-11-19)24-22(26)18(2)29-21-14-12-20(13-15-21)25(5)30(6,27)28/h7-15,17-18H,16H2,1-6H3,(H,24,26)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide?
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide has a molecular weight of 432.59 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]propanamide is sourced from PubChem (CID 125054899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).