3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide

C16H20N2O2S — CID 99981051

IUPAC3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC[C@@H](O)c2ccsc2)c1
InChIInChI=1S/C16H20N2O2S/c1-18(2)14-5-3-4-12(10-14)16(20)17-8-6-15(19)13-7-9-21-11-13/h3-5,7,9-11,15,19H,6,8H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyHEYCYSUSWNBRPQ-OAHLLOKOSA-N
MW304.42 g/mol
LogP2.67
Rot. Bonds6

About 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide

3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide (PubChem CID 99981051) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
PubChem CID99981051
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC[C@@H](O)c2ccsc2)c1
InChIInChI=1S/C16H20N2O2S/c1-18(2)14-5-3-4-12(10-14)16(20)17-8-6-15(19)13-7-9-21-11-13/h3-5,7,9-11,15,19H,6,8H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyHEYCYSUSWNBRPQ-OAHLLOKOSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]benzamide
CID 126850446
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-nitrobenzamide
CID 121132093
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 27607144
4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-(3-bromo-4-methoxybutyl)-3-(dimethylamino)benzamide
CID 106245278
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide (CID 99981051) is 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide is CN(C)c1cccc(C(=O)NCC[C@@H](O)c2ccsc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide?
The InChIKey is HEYCYSUSWNBRPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(2)14-5-3-4-12(10-14)16(20)17-8-6-15(19)13-7-9-21-11-13/h3-5,7,9-11,15,19H,6,8H2,1-2H3,(H,17,20)/t15-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide?
3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide has a molecular weight of 304.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide is sourced from PubChem (CID 99981051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).