2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C20H21N3O4S2 — CID 46686268

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)o1
InChIInChI=1S/C20H21N3O4S2/c1-14-4-9-18(27-14)20-22-16(13-28-20)12-19(24)21-15-5-7-17(8-6-15)29(25,26)23-10-2-3-11-23/h4-9,13H,2-3,10-12H2,1H3,(H,21,24)
InChIKeyKFUTYPYKIYBZQX-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.68
Rot. Bonds6

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 46686268) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID46686268
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)o1
InChIInChI=1S/C20H21N3O4S2/c1-14-4-9-18(27-14)20-22-16(13-28-20)12-19(24)21-15-5-7-17(8-6-15)29(25,26)23-10-2-3-11-23/h4-9,13H,2-3,10-12H2,1H3,(H,21,24)
InChIKeyKFUTYPYKIYBZQX-UHFFFAOYSA-N
XLogP3.68
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16595528
N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46474409
S-[4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529514
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55798738
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46494595
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 60549610
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46450701
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46422815
N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43055200

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 46686268) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is KFUTYPYKIYBZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-14-4-9-18(27-14)20-22-16(13-28-20)12-19(24)21-15-5-7-17(8-6-15)29(25,26)23-10-2-3-11-23/h4-9,13H,2-3,10-12H2,1H3,(H,21,24).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 46686268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).