N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide

C20H17NO4S2 — CID 22092485

IUPACN-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide
SMILESO=C(NCc1ccco1)c1cccc2c1C(Sc1ccccc1)CS2(=O)=O
InChIInChI=1S/C20H17NO4S2/c22-20(21-12-14-6-5-11-25-14)16-9-4-10-18-19(16)17(13-27(18,23)24)26-15-7-2-1-3-8-15/h1-11,17H,12-13H2,(H,21,22)
InChIKeyACBMWDVGPMENFE-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.83
Rot. Bonds5

About N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide

N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide (PubChem CID 22092485) has the molecular formula C20H17NO4S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide
PubChem CID22092485
Molecular FormulaC20H17NO4S2
Molecular Weight399.49 g/mol
Exact Mass399.06
IUPAC NameN-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide
SMILESO=C(NCc1ccco1)c1cccc2c1C(Sc1ccccc1)CS2(=O)=O
InChIInChI=1S/C20H17NO4S2/c22-20(21-12-14-6-5-11-25-14)16-9-4-10-18-19(16)17(13-27(18,23)24)26-15-7-2-1-3-8-15/h1-11,17H,12-13H2,(H,21,22)
InChIKeyACBMWDVGPMENFE-UHFFFAOYSA-N
XLogP3.83
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea
CID 75377793
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
6-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4592767
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 2231856
4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide
CID 142502197
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide (CID 22092485) is N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide is O=C(NCc1ccco1)c1cccc2c1C(Sc1ccccc1)CS2(=O)=O.
What is the InChIKey of N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide?
The InChIKey is ACBMWDVGPMENFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S2/c22-20(21-12-14-6-5-11-25-14)16-9-4-10-18-19(16)17(13-27(18,23)24)26-15-7-2-1-3-8-15/h1-11,17H,12-13H2,(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide?
N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 22092485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).