N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide

C19H24N2O2S — CID 97105946

IUPACN-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NC[C@H](O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H24N2O2S/c1-4-24-18-8-6-5-7-16(18)19(23)20-13-17(22)14-9-11-15(12-10-14)21(2)3/h5-12,17,22H,4,13H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyUJLNKAKVCGIHOQ-KRWDZBQOSA-N
MW344.48 g/mol
LogP3.33
Rot. Bonds7

About N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide (PubChem CID 97105946) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide
PubChem CID97105946
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NC[C@H](O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H24N2O2S/c1-4-24-18-8-6-5-7-16(18)19(23)20-13-17(22)14-9-11-15(12-10-14)21(2)3/h5-12,17,22H,4,13H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyUJLNKAKVCGIHOQ-KRWDZBQOSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide 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-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-nitrobenzamide
CID 90581439
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-ethylsulfanylbenzamide
CID 99903128
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]naphthalene-2-carboxamide
CID 90581445
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
CID 90581411
2-(2-chlorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]acetamide
CID 97105924
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2,4,6-trimethylbenzamide
CID 90581428
N'-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N-(2-methylpropyl)oxamide
CID 90581629
2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid
CID 82315419
2-ethylsulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984626
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(3-methylphenyl)acetamide
CID 90581416

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide (CID 97105946) is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)NC[C@H](O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide?
The InChIKey is UJLNKAKVCGIHOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-24-18-8-6-5-7-16(18)19(23)20-13-17(22)14-9-11-15(12-10-14)21(2)3/h5-12,17,22H,4,13H2,1-3H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide?
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide has a molecular weight of 344.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 97105946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).