2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide

C20H25NO2S — CID 2218475

IUPAC2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCOCCSc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H25NO2S/c1-16(12-13-17-8-4-3-5-9-17)21-20(22)18-10-6-7-11-19(18)24-15-14-23-2/h3-11,16H,12-15H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyZVVPPSBBDHJMGS-INIZCTEOSA-N
MW343.49 g/mol
LogP4.18
Rot. Bonds9

About 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide

2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 2218475) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID2218475
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCOCCSc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H25NO2S/c1-16(12-13-17-8-4-3-5-9-17)21-20(22)18-10-6-7-11-19(18)24-15-14-23-2/h3-11,16H,12-15H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyZVVPPSBBDHJMGS-INIZCTEOSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyanomethylsulfanyl)-N-(4-phenylbutan-2-yl)benzamide
CID 42909036
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-phenylbutan-2-yl)benzamide
CID 51326786
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
2-benzylsulfanyl-N-(2,4-dimethylpentan-3-yl)benzamide
CID 19062812
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
N-[(2S)-4-phenylbutan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25475198
2-[2-(methylamino)-2-oxoethoxy]-N-(4-phenylbutan-2-yl)benzamide
CID 2996779
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 55892354

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 2218475) is 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide is COCCSc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is ZVVPPSBBDHJMGS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-16(12-13-17-8-4-3-5-9-17)21-20(22)18-10-6-7-11-19(18)24-15-14-23-2/h3-11,16H,12-15H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 343.49 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 2218475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).