5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide

C14H12ClF2NO3S — CID 95771032

IUPAC5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(OC(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClF2NO3S/c15-12-6-5-11(22-12)13(20)18-7-10(19)8-1-3-9(4-2-8)21-14(16)17/h1-6,10,14,19H,7H2,(H,18,20)/t10-/m0/s1
InChIKeyHUGZDTXIRKFJSE-JTQLQIEISA-N
MW347.77 g/mol
LogP3.47
Rot. Bonds6

About 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide

5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide (PubChem CID 95771032) has the molecular formula C14H12ClF2NO3S and a molecular weight of 347.77 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
PubChem CID95771032
Molecular FormulaC14H12ClF2NO3S
Molecular Weight347.77 g/mol
Exact Mass347.02
IUPAC Name5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(OC(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClF2NO3S/c15-12-6-5-11(22-12)13(20)18-7-10(19)8-1-3-9(4-2-8)21-14(16)17/h1-6,10,14,19H,7H2,(H,18,20)/t10-/m0/s1
InChIKeyHUGZDTXIRKFJSE-JTQLQIEISA-N
XLogP3.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
(5-chlorothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 43338874
1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide
CID 86967160
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458227
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671
5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 43005379
5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 97042443
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967193

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide (CID 95771032) is 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide is O=C(NC[C@H](O)c1ccc(OC(F)F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide?
The InChIKey is HUGZDTXIRKFJSE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12ClF2NO3S/c15-12-6-5-11(22-12)13(20)18-7-10(19)8-1-3-9(4-2-8)21-14(16)17/h1-6,10,14,19H,7H2,(H,18,20)/t10-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide?
5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide has a molecular weight of 347.77 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95771032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).