N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide

C24H15ClN2O3S2 — CID 71671047

IUPACN-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1cccs1)c1ccco1
InChIInChI=1S/C24H15ClN2O3S2/c25-16-7-11-18(12-8-16)30-17-9-5-15(6-10-17)23-26-21(20-4-2-14-31-20)24(32-23)27-22(28)19-3-1-13-29-19/h1-14H,(H,27,28)
InChIKeyAFQGCXMKBLWUKS-UHFFFAOYSA-N
MW478.98 g/mol
LogP7.83
Rot. Bonds6

About N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide

N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide (PubChem CID 71671047) has the molecular formula C24H15ClN2O3S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide
PubChem CID71671047
Molecular FormulaC24H15ClN2O3S2
Molecular Weight478.98 g/mol
Exact Mass478.02
IUPAC NameN-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1cccs1)c1ccco1
InChIInChI=1S/C24H15ClN2O3S2/c25-16-7-11-18(12-8-16)30-17-9-5-15(6-10-17)23-26-21(20-4-2-14-31-20)24(32-23)27-22(28)19-3-1-13-29-19/h1-14H,(H,27,28)
InChIKeyAFQGCXMKBLWUKS-UHFFFAOYSA-N
XLogP7.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 35345756
4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
CID 171703835
furan-2-yl-[2-(4-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]methanone
CID 102583273
N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 155943136
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868476
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
ethyl N-[2-[4-(4-chlorophenoxy)phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900913
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
2-(4-chlorophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24683000
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 34115598
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1206485

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide (CID 71671047) is N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide is O=C(Nc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1cccs1)c1ccco1.
What is the InChIKey of N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide?
The InChIKey is AFQGCXMKBLWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O3S2/c25-16-7-11-18(12-8-16)30-17-9-5-15(6-10-17)23-26-21(20-4-2-14-31-20)24(32-23)27-22(28)19-3-1-13-29-19/h1-14H,(H,27,28).
What are the key properties of N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide?
N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 7.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 71671047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).