1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea

C14H14N2O4S — CID 75377793

IUPAC1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H14N2O4S/c17-14(15-8-10-4-3-7-20-10)16-12-9-21(18,19)13-6-2-1-5-11(12)13/h1-7,12H,8-9H2,(H2,15,16,17)
InChIKeyRJYYRBXYZGUYLA-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.61
Rot. Bonds3

About 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea (PubChem CID 75377793) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea
PubChem CID75377793
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H14N2O4S/c17-14(15-8-10-4-3-7-20-10)16-12-9-21(18,19)13-6-2-1-5-11(12)13/h1-7,12H,8-9H2,(H2,15,16,17)
InChIKeyRJYYRBXYZGUYLA-UHFFFAOYSA-N
XLogP1.61
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
N-(furan-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43754917
1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
CID 71909131
N-(furan-2-ylmethyl)-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxamide
CID 22092485
4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248963
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2123025
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
N-(furan-2-ylmethyl)acetamide
CID 2394850
cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea (CID 75377793) is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)NC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea?
The InChIKey is RJYYRBXYZGUYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-14(15-8-10-4-3-7-20-10)16-12-9-21(18,19)13-6-2-1-5-11(12)13/h1-7,12H,8-9H2,(H2,15,16,17).
What are the key properties of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea?
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea has a molecular weight of 306.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 75377793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).