N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide

C13H19N3O2S — CID 62840151

IUPACN-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1CCCc2sccc21
InChIInChI=1S/C13H19N3O2S/c1-8(12(17)16-13(18)14-2)15-10-4-3-5-11-9(10)6-7-19-11/h6-8,10,15H,3-5H2,1-2H3,(H2,14,16,17,18)
InChIKeyWZDKYQJVKHKIMG-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.56
Rot. Bonds3

About N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide

N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide (PubChem CID 62840151) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
PubChem CID62840151
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1CCCc2sccc21
InChIInChI=1S/C13H19N3O2S/c1-8(12(17)16-13(18)14-2)15-10-4-3-5-11-9(10)6-7-19-11/h6-8,10,15H,3-5H2,1-2H3,(H2,14,16,17,18)
InChIKeyWZDKYQJVKHKIMG-UHFFFAOYSA-N
XLogP1.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide (CID 62840151) is N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide is CNC(=O)NC(=O)C(C)NC1CCCc2sccc21.
What is the InChIKey of N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The InChIKey is WZDKYQJVKHKIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8(12(17)16-13(18)14-2)15-10-4-3-5-11-9(10)6-7-19-11/h6-8,10,15H,3-5H2,1-2H3,(H2,14,16,17,18).
What are the key properties of N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide has a molecular weight of 281.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide is sourced from PubChem (CID 62840151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).