N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide

C14H15NO3S — CID 78946123

IUPACN-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H15NO3S/c1-18-12-7-9-19-13(12)14(17)15-8-6-10-2-4-11(16)5-3-10/h2-5,7,9,16H,6,8H2,1H3,(H,15,17)
InChIKeyXDIGIXIEMXELQP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide (PubChem CID 78946123) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
PubChem CID78946123
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H15NO3S/c1-18-12-7-9-19-13(12)14(17)15-8-6-10-2-4-11(16)5-3-10/h2-5,7,9,16H,6,8H2,1H3,(H,15,17)
InChIKeyXDIGIXIEMXELQP-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121353
N-[(4-aminophenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 81116990
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide
CID 110445941
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178
2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 81127121
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 115456415
N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 63237534
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide (CID 78946123) is N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is XDIGIXIEMXELQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-12-7-9-19-13(12)14(17)15-8-6-10-2-4-11(16)5-3-10/h2-5,7,9,16H,6,8H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 78946123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).