N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide

C22H20N2O5S2 — CID 25319309

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C22H20N2O5S2/c1-28-16-8-10-17(11-9-16)31(26,27)12-4-7-21(25)24-22-23-18(14-30-22)20-13-15-5-2-3-6-19(15)29-20/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,24,25)
InChIKeyAQTQIQKIVPFGER-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.76
Rot. Bonds8

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide (PubChem CID 25319309) has the molecular formula C22H20N2O5S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
PubChem CID25319309
Molecular FormulaC22H20N2O5S2
Molecular Weight456.55 g/mol
Exact Mass456.08
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C22H20N2O5S2/c1-28-16-8-10-17(11-9-16)31(26,27)12-4-7-21(25)24-22-23-18(14-30-22)20-13-15-5-2-3-6-19(15)29-20/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,24,25)
InChIKeyAQTQIQKIVPFGER-UHFFFAOYSA-N
XLogP4.76
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 44916210
4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 25319300
4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916209
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 18589698
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 44916393
4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide
CID 41087352
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273735
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 8702470
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827708
4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273043
3-(4-methoxyphenyl)sulfanyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]propanamide
CID 41324862
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 8702534

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide (CID 25319309) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide is COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide?
The InChIKey is AQTQIQKIVPFGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S2/c1-28-16-8-10-17(11-9-16)31(26,27)12-4-7-21(25)24-22-23-18(14-30-22)20-13-15-5-2-3-6-19(15)29-20/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,24,25).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide has a molecular weight of 456.55 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide is sourced from PubChem (CID 25319309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).