3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide

C13H11N3O4S — CID 16656289

IUPAC3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide
SMILESCOc1cccc2c1sc1c(NC(N)=O)c(C(N)=O)oc12
InChIInChI=1S/C13H11N3O4S/c1-19-6-4-2-3-5-8-11(21-10(5)6)7(16-13(15)18)9(20-8)12(14)17/h2-4H,1H3,(H2,14,17)(H3,15,16,18)
InChIKeyQCEUWVGUEKPNIW-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.25
Rot. Bonds3

About 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide

3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide (PubChem CID 16656289) has the molecular formula C13H11N3O4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide.

Molecular Properties

Compound Name3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide
PubChem CID16656289
Molecular FormulaC13H11N3O4S
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC Name3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide
SMILESCOc1cccc2c1sc1c(NC(N)=O)c(C(N)=O)oc12
InChIInChI=1S/C13H11N3O4S/c1-19-6-4-2-3-5-8-11(21-10(5)6)7(16-13(15)18)9(20-8)12(14)17/h2-4H,1H3,(H2,14,17)(H3,15,16,18)
InChIKeyQCEUWVGUEKPNIW-UHFFFAOYSA-N
XLogP2.25
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(carbamoylamino)-6-(2-phenoxyethoxy)-[1]benzothiolo[3,2-b]furan-2-carboxamide
CID 11575138
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3,7-dimethoxy-1-benzofuran-2-carbohydrazide
CID 57464190
methyl 3-hydroxy-7-methoxy-1-benzofuran-2-carboxylate
CID 54676990
2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide
CID 140548827
7-methoxy-3-propoxy-1-benzothiophene-2-carboxamide
CID 67796779
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea
CID 143739716
ethane;(2-methoxyphenyl)urea
CID 143063924
2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
CID 83825002
7-methoxy-2-nitro-1-benzothiophen-3-amine
CID 19800078

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide?
The IUPAC name of 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide (CID 16656289) is 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide.
What is the SMILES notation for 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide?
The canonical SMILES for 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide is COc1cccc2c1sc1c(NC(N)=O)c(C(N)=O)oc12.
What is the InChIKey of 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide?
The InChIKey is QCEUWVGUEKPNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-19-6-4-2-3-5-8-11(21-10(5)6)7(16-13(15)18)9(20-8)12(14)17/h2-4H,1H3,(H2,14,17)(H3,15,16,18).
What are the key properties of 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide?
3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide has a molecular weight of 305.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-5-methoxy-[1]benzothiolo[3,2-b]furan-2-carboxamide is sourced from PubChem (CID 16656289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).