N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide

C16H12ClNO3S — CID 28669155

IUPACN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccs1
InChIInChI=1S/C16H12ClNO3S/c17-13-5-3-10(18-16(20)15-2-1-7-22-15)8-12(13)14-6-4-11(9-19)21-14/h1-8,19H,9H2,(H,18,20)
InChIKeyMFOGJTSXNBERFE-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.41
Rot. Bonds4

About N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide

N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 28669155) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID28669155
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC NameN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccs1
InChIInChI=1S/C16H12ClNO3S/c17-13-5-3-10(18-16(20)15-2-1-7-22-15)8-12(13)14-6-4-11(9-19)21-14/h1-8,19H,9H2,(H,18,20)
InChIKeyMFOGJTSXNBERFE-UHFFFAOYSA-N
XLogP4.41
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
CID 28671192
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666023
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 28671455
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
CID 28667348
4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28667689
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,5-dichlorophenyl)furan-2-carboxamide
CID 28670148
N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
CID 768178
(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677866
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 28675834

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide (CID 28669155) is N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccs1.
What is the InChIKey of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is MFOGJTSXNBERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c17-13-5-3-10(18-16(20)15-2-1-7-22-15)8-12(13)14-6-4-11(9-19)21-14/h1-8,19H,9H2,(H,18,20).
What are the key properties of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 333.80 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 28669155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).