2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide

C16H18ClNO3S — CID 71914600

IUPAC2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)c2ccc(Cl)s2)cc1O
InChIInChI=1S/C16H18ClNO3S/c1-10(14-6-7-15(17)22-14)16(20)18(2)9-11-4-5-13(21-3)12(19)8-11/h4-8,10,19H,9H2,1-3H3
InChIKeyNBGWKLJOLLNLPB-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.88
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide

2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 71914600) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID71914600
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)c2ccc(Cl)s2)cc1O
InChIInChI=1S/C16H18ClNO3S/c1-10(14-6-7-15(17)22-14)16(20)18(2)9-11-4-5-13(21-3)12(19)8-11/h4-8,10,19H,9H2,1-3H3
InChIKeyNBGWKLJOLLNLPB-UHFFFAOYSA-N
XLogP3.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(3-hydroxy-4-methoxyphenyl)methyl]urea
CID 95134193
N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140765
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
(2S)-2-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119301215
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 119744992
2-(5-chlorothiophen-2-yl)-N-methylpropanehydrazide
CID 116845748
N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
CID 119582214
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
CID 120589966
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide (CID 71914600) is 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(C)c2ccc(Cl)s2)cc1O.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is NBGWKLJOLLNLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-10(14-6-7-15(17)22-14)16(20)18(2)9-11-4-5-13(21-3)12(19)8-11/h4-8,10,19H,9H2,1-3H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide?
2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 339.84 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 71914600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).