(4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide

C21H26N2O2S — CID 139362872

IUPAC(4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
SMILESCN(C)[C@H](CCC(=O)NC1CSc2ccccc21)Cc1ccc(O)cc1
InChIInChI=1S/C21H26N2O2S/c1-23(2)16(13-15-7-10-17(24)11-8-15)9-12-21(25)22-19-14-26-20-6-4-3-5-18(19)20/h3-8,10-11,16,19,24H,9,12-14H2,1-2H3,(H,22,25)/t16-,19?/m1/s1
InChIKeyFWTUSKDKACEUEY-VTBWFHPJSA-N
MW370.52 g/mol
LogP3.61
Rot. Bonds7

About (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide

(4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide (PubChem CID 139362872) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name(4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
PubChem CID139362872
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name(4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
SMILESCN(C)[C@H](CCC(=O)NC1CSc2ccccc21)Cc1ccc(O)cc1
InChIInChI=1S/C21H26N2O2S/c1-23(2)16(13-15-7-10-17(24)11-8-15)9-12-21(25)22-19-14-26-20-6-4-3-5-18(19)20/h3-8,10-11,16,19,24H,9,12-14H2,1-2H3,(H,22,25)/t16-,19?/m1/s1
InChIKeyFWTUSKDKACEUEY-VTBWFHPJSA-N
XLogP3.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide 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

(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 153328550
(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 139362916
(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide
CID 139362871
(4R)-N-(5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 139362877
(4R)-N-(6-bromo-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
CID 139362973
(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)pentanamide
CID 139363022
3-(2,3-dihydro-1-benzothiophen-3-ylcarbamoylamino)propanoic acid
CID 122002704
cis-(1R,2S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 139568768
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81300725
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
4-[(2,3-dihydro-1-benzothiophen-3-ylmethylamino)methyl]phenol
CID 114331697

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide?
The IUPAC name of (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide (CID 139362872) is (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide.
What is the SMILES notation for (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide?
The canonical SMILES for (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide is CN(C)[C@H](CCC(=O)NC1CSc2ccccc21)Cc1ccc(O)cc1.
What is the InChIKey of (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide?
The InChIKey is FWTUSKDKACEUEY-VTBWFHPJSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-23(2)16(13-15-7-10-17(24)11-8-15)9-12-21(25)22-19-14-26-20-6-4-3-5-18(19)20/h3-8,10-11,16,19,24H,9,12-14H2,1-2H3,(H,22,25)/t16-,19?/m1/s1.
What are the key properties of (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide?
(4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide has a molecular weight of 370.52 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide is sourced from PubChem (CID 139362872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).