3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide

C21H19N3O4S — CID 134042571

IUPAC3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide
SMILESCOc1cc2c(cc1NC(=O)CC(NC(N)=O)c1cccs1)oc1ccccc12
InChIInChI=1S/C21H19N3O4S/c1-27-18-9-13-12-5-2-3-6-16(12)28-17(13)10-14(18)23-20(25)11-15(24-21(22)26)19-7-4-8-29-19/h2-10,15H,11H2,1H3,(H,23,25)(H3,22,24,26)
InChIKeyBCQOHWYGJSLYQA-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.39
Rot. Bonds6

About 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide (PubChem CID 134042571) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide
PubChem CID134042571
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide
SMILESCOc1cc2c(cc1NC(=O)CC(NC(N)=O)c1cccs1)oc1ccccc12
InChIInChI=1S/C21H19N3O4S/c1-27-18-9-13-12-5-2-3-6-16(12)28-17(13)10-14(18)23-20(25)11-15(24-21(22)26)19-7-4-8-29-19/h2-10,15H,11H2,1H3,(H,23,25)(H3,22,24,26)
InChIKeyBCQOHWYGJSLYQA-UHFFFAOYSA-N
XLogP4.39
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
CID 40799365
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
CID 2415110
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773
1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea
CID 72686859
N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 60618030

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide (CID 134042571) is 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide is COc1cc2c(cc1NC(=O)CC(NC(N)=O)c1cccs1)oc1ccccc12.
What is the InChIKey of 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is BCQOHWYGJSLYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-27-18-9-13-12-5-2-3-6-16(12)28-17(13)10-14(18)23-20(25)11-15(24-21(22)26)19-7-4-8-29-19/h2-10,15H,11H2,1H3,(H,23,25)(H3,22,24,26).
What are the key properties of 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 409.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 134042571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).