4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide

C21H18N2O4S2 — CID 25319300

IUPAC4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C21H18N2O4S2/c24-20(11-6-12-29(25,26)16-8-2-1-3-9-16)23-21-22-17(14-28-21)19-13-15-7-4-5-10-18(15)27-19/h1-5,7-10,13-14H,6,11-12H2,(H,22,23,24)
InChIKeyBWZJLADOHSJNRB-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.75
Rot. Bonds7

About 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide

4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 25319300) has the molecular formula C21H18N2O4S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID25319300
Molecular FormulaC21H18N2O4S2
Molecular Weight426.52 g/mol
Exact Mass426.07
IUPAC Name4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C21H18N2O4S2/c24-20(11-6-12-29(25,26)16-8-2-1-3-9-16)23-21-22-17(14-28-21)19-13-15-7-4-5-10-18(15)27-19/h1-5,7-10,13-14H,6,11-12H2,(H,22,23,24)
InChIKeyBWZJLADOHSJNRB-UHFFFAOYSA-N
XLogP4.75
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 25319309
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 18589698
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 44916210
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 8702470
4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
CID 41273052
4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916209
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 44916393
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 8702534
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273043
3-(1,3-benzodioxol-5-yl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 41255563
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18560857

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide (CID 25319300) is 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide is O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is BWZJLADOHSJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S2/c24-20(11-6-12-29(25,26)16-8-2-1-3-9-16)23-21-22-17(14-28-21)19-13-15-7-4-5-10-18(15)27-19/h1-5,7-10,13-14H,6,11-12H2,(H,22,23,24).
What are the key properties of 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?
4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 426.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 25319300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).