4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide

C19H19N3O4S2 — CID 41087352

IUPAC4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-26-15-4-6-16(7-5-15)28(24,25)12-2-3-18(23)22-19-21-17(13-27-19)14-8-10-20-11-9-14/h4-11,13H,2-3,12H2,1H3,(H,21,22,23)
InChIKeyPXIOZVUTYOCJGP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.41
Rot. Bonds8

About 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide

4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 41087352) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide
PubChem CID41087352
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-26-15-4-6-16(7-5-15)28(24,25)12-2-3-18(23)22-19-21-17(13-27-19)14-8-10-20-11-9-14/h4-11,13H,2-3,12H2,1H3,(H,21,22,23)
InChIKeyPXIOZVUTYOCJGP-UHFFFAOYSA-N
XLogP3.41
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273735
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 44916210
methyl 4-[2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-thiazol-4-yl]benzoate
CID 41274445
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 25319309
4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273043
4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41274662
4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916209
3-(4-butylsulfonylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 173145145
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783695
(E)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propylsulfonylphenyl)prop-2-enamide
CID 87722151
4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273352

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide (CID 41087352) is 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide is COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is PXIOZVUTYOCJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-26-15-4-6-16(7-5-15)28(24,25)12-2-3-18(23)22-19-21-17(13-27-19)14-8-10-20-11-9-14/h4-11,13H,2-3,12H2,1H3,(H,21,22,23).
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide?
4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 417.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 41087352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).