N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide

C17H14N2O4S2 — CID 72684481

IUPACN-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C=Cc2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C17H14N2O4S2/c1-25(21,22)19-13-6-4-12(5-7-13)15(20)9-8-14-11-24-17(18-14)16-3-2-10-23-16/h2-11,19H,1H3
InChIKeyQQUXLHQVHYBGNN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.67
Rot. Bonds6

About N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide

N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide (PubChem CID 72684481) has the molecular formula C17H14N2O4S2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide
PubChem CID72684481
Molecular FormulaC17H14N2O4S2
Molecular Weight374.44 g/mol
Exact Mass374.04
IUPAC NameN-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C=Cc2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C17H14N2O4S2/c1-25(21,22)19-13-6-4-12(5-7-13)15(20)9-8-14-11-24-17(18-14)16-3-2-10-23-16/h2-11,19H,1H3
InChIKeyQQUXLHQVHYBGNN-UHFFFAOYSA-N
XLogP3.67
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78905666
N-[4-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide
CID 72684489
4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]benzonitrile
CID 78905650
3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 78905646
N-[4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 32500964
2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
(E)-1-(4-iodophenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 60583193
N-[3-[3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoyl]phenyl]methanesulfonamide
CID 91943012
N-[2-[5-[2-(furan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 25487674
N-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 71935173
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid
CID 86776921

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide (CID 72684481) is N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C=Cc2csc(-c3ccco3)n2)cc1.
What is the InChIKey of N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide?
The InChIKey is QQUXLHQVHYBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S2/c1-25(21,22)19-13-6-4-12(5-7-13)15(20)9-8-14-11-24-17(18-14)16-3-2-10-23-16/h2-11,19H,1H3.
What are the key properties of N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide?
N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide has a molecular weight of 374.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 72684481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).