N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide

C11H15N3O2S — CID 61207247

IUPACN-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide
SMILESNC(=O)NC(=O)CNCc1cc2c(s1)CCC2
InChIInChI=1S/C11H15N3O2S/c12-11(16)14-10(15)6-13-5-8-4-7-2-1-3-9(7)17-8/h4,13H,1-3,5-6H2,(H3,12,14,15,16)
InChIKeyJZIRXADBXWSNGT-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.52
Rot. Bonds4

About N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide

N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide (PubChem CID 61207247) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide
PubChem CID61207247
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide
SMILESNC(=O)NC(=O)CNCc1cc2c(s1)CCC2
InChIInChI=1S/C11H15N3O2S/c12-11(16)14-10(15)6-13-5-8-4-7-2-1-3-9(7)17-8/h4,13H,1-3,5-6H2,(H3,12,14,15,16)
InChIKeyJZIRXADBXWSNGT-UHFFFAOYSA-N
XLogP0.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142771229
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CID 8863293
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CID 8863302

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide?
The IUPAC name of N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide (CID 61207247) is N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide is NC(=O)NC(=O)CNCc1cc2c(s1)CCC2.
What is the InChIKey of N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide?
The InChIKey is JZIRXADBXWSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-11(16)14-10(15)6-13-5-8-4-7-2-1-3-9(7)17-8/h4,13H,1-3,5-6H2,(H3,12,14,15,16).
What are the key properties of N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide?
N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide has a molecular weight of 253.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 61207247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).