N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide

C14H11ClN2O2S — CID 110931249

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide
SMILESN#Cc1ccsc1C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S/c15-11-3-1-9(2-4-11)12(18)8-17-14(19)13-10(7-16)5-6-20-13/h1-6,12,18H,8H2,(H,17,19)
InChIKeyUXZDCNIRLAIAMF-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide (PubChem CID 110931249) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide
PubChem CID110931249
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide
SMILESN#Cc1ccsc1C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S/c15-11-3-1-9(2-4-11)12(18)8-17-14(19)13-10(7-16)5-6-20-13/h1-6,12,18H,8H2,(H,17,19)
InChIKeyUXZDCNIRLAIAMF-UHFFFAOYSA-N
XLogP2.74
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94290696
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 39985317
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42947638
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042614
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide (CID 110931249) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide is N#Cc1ccsc1C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide?
The InChIKey is UXZDCNIRLAIAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-11-3-1-9(2-4-11)12(18)8-17-14(19)13-10(7-16)5-6-20-13/h1-6,12,18H,8H2,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide has a molecular weight of 306.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyanothiophene-2-carboxamide is sourced from PubChem (CID 110931249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).