N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide

C14H15NO3S — CID 117087642

IUPACN-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCO)s2)cc1
InChIInChI=1S/C14H15NO3S/c1-18-11-4-2-10(3-5-11)12-6-7-13(19-12)14(17)15-8-9-16/h2-7,16H,8-9H2,1H3,(H,15,17)
InChIKeyYPLONAOPKMZSFR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.15
Rot. Bonds5

About N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide

N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 117087642) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID117087642
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCO)s2)cc1
InChIInChI=1S/C14H15NO3S/c1-18-11-4-2-10(3-5-11)12-6-7-13(19-12)14(17)15-8-9-16/h2-7,16H,8-9H2,1H3,(H,15,17)
InChIKeyYPLONAOPKMZSFR-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 22350701
5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 46083095
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577
1-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9218538
(E)-2-hydroxy-4-[5-(4-methoxyphenyl)thiophen-2-yl]-4-oxobut-2-enoic acid
CID 68591897
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
1-[5-(4-ethenylphenyl)thiophen-2-yl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 19596431

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 117087642) is N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)NCCO)s2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is YPLONAOPKMZSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-11-4-2-10(3-5-11)12-6-7-13(19-12)14(17)15-8-9-16/h2-7,16H,8-9H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide?
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 117087642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).