4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C17H14ClNO3S — CID 19503099

IUPAC4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C17H14ClNO3S/c18-14-5-1-2-6-15(14)22-10-12-8-16(23-11-12)17(20)19-9-13-4-3-7-21-13/h1-8,11H,9-10H2,(H,19,20)
InChIKeyJIZMJZWRWBLBKU-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.50
Rot. Bonds6

About 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 19503099) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID19503099
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C17H14ClNO3S/c18-14-5-1-2-6-15(14)22-10-12-8-16(23-11-12)17(20)19-9-13-4-3-7-21-13/h1-8,11H,9-10H2,(H,19,20)
InChIKeyJIZMJZWRWBLBKU-UHFFFAOYSA-N
XLogP4.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495493
N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500932
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503188
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 19503232
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957
N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498980
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638354
4-[(2-chlorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19503120
3-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199940
4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 19503185
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909333

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 19503099) is 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccco1)c1cc(COc2ccccc2Cl)cs1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JIZMJZWRWBLBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c18-14-5-1-2-6-15(14)22-10-12-8-16(23-11-12)17(20)19-9-13-4-3-7-21-13/h1-8,11H,9-10H2,(H,19,20).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19503099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).