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

C19H32N2O4S — CID 125064427

IUPAC(2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H32N2O4S/c1-6-8-9-16(7-2)14-20-19(22)15(3)25-18-12-10-17(11-13-18)21(4)26(5,23)24/h10-13,15-16H,6-9,14H2,1-5H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyBPRBQTVCJAVKTB-HOTGVXAUSA-N
MW384.54 g/mol
LogP3.18
Rot. Bonds11

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

(2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 125064427) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID125064427
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC Name(2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H32N2O4S/c1-6-8-9-16(7-2)14-20-19(22)15(3)25-18-12-10-17(11-13-18)21(4)26(5,23)24/h10-13,15-16H,6-9,14H2,1-5H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyBPRBQTVCJAVKTB-HOTGVXAUSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133185231
N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133210421
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 133202046
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 100662126
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100754867
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100768119
(2R)-N-(2-tert-butylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100623528
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 125064427) is (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is BPRBQTVCJAVKTB-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-6-8-9-16(7-2)14-20-19(22)15(3)25-18-12-10-17(11-13-18)21(4)26(5,23)24/h10-13,15-16H,6-9,14H2,1-5H3,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
(2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 384.54 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 125064427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).