N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide

C16H20N2O2S — CID 111451848

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)NCC(C)(O)c1ccsc1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-16(20,13-8-9-21-11-13)12-17-15(19)10-18(2)14-6-4-3-5-7-14/h3-9,11,20H,10,12H2,1-2H3,(H,17,19)
InChIKeyNBGVXVWNOLVWJH-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.21
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide (PubChem CID 111451848) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
PubChem CID111451848
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)NCC(C)(O)c1ccsc1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-16(20,13-8-9-21-11-13)12-17-15(19)10-18(2)14-6-4-3-5-7-14/h3-9,11,20H,10,12H2,1-2H3,(H,17,19)
InChIKeyNBGVXVWNOLVWJH-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
CID 111451822
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 96567083
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452290
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 111450384

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide (CID 111451848) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide is CN(CC(=O)NCC(C)(O)c1ccsc1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide?
The InChIKey is NBGVXVWNOLVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(20,13-8-9-21-11-13)12-17-15(19)10-18(2)14-6-4-3-5-7-14/h3-9,11,20H,10,12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide is sourced from PubChem (CID 111451848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).