4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide

C23H20N2O3S2 — CID 41273052

IUPAC4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C23H20N2O3S2/c26-22(14-7-15-30(27,28)18-10-2-1-3-11-18)25-23-24-21(16-29-23)20-13-6-9-17-8-4-5-12-19(17)20/h1-6,8-13,16H,7,14-15H2,(H,24,25,26)
InChIKeyDQZJFHUECHICMH-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.16
Rot. Bonds7

About 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide

4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 41273052) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
PubChem CID41273052
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC Name4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C23H20N2O3S2/c26-22(14-7-15-30(27,28)18-10-2-1-3-11-18)25-23-24-21(16-29-23)20-13-6-9-17-8-4-5-12-19(17)20/h1-6,8-13,16H,7,14-15H2,(H,24,25,26)
InChIKeyDQZJFHUECHICMH-UHFFFAOYSA-N
XLogP5.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 25319300
3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide
CID 43947236
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
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273340
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18560857
4-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41274652
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-(4-chlorophenyl)sulfonylbutanamide
CID 18586047
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 25319309

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide (CID 41273052) is 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide is O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is DQZJFHUECHICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c26-22(14-7-15-30(27,28)18-10-2-1-3-11-18)25-23-24-21(16-29-23)20-13-6-9-17-8-4-5-12-19(17)20/h1-6,8-13,16H,7,14-15H2,(H,24,25,26).
What are the key properties of 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide?
4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 436.56 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 41273052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).