N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide

C9H13N3O2S — CID 66352367

IUPACN-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccsc1
InChIInChI=1S/C9H13N3O2S/c1-6(8(13)12-9(14)10-2)11-7-3-4-15-5-7/h3-6,11H,1-2H3,(H2,10,12,13,14)
InChIKeyLKGXYFPZNMZGMV-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.00
Rot. Bonds3

About N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide

N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide (PubChem CID 66352367) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide
PubChem CID66352367
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccsc1
InChIInChI=1S/C9H13N3O2S/c1-6(8(13)12-9(14)10-2)11-7-3-4-15-5-7/h3-6,11H,1-2H3,(H2,10,12,13,14)
InChIKeyLKGXYFPZNMZGMV-UHFFFAOYSA-N
XLogP1.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide (CID 66352367) is N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide is CNC(=O)NC(=O)C(C)Nc1ccsc1.
What is the InChIKey of N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide?
The InChIKey is LKGXYFPZNMZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6(8(13)12-9(14)10-2)11-7-3-4-15-5-7/h3-6,11H,1-2H3,(H2,10,12,13,14).
What are the key properties of N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide?
N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide has a molecular weight of 227.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(thiophen-3-ylamino)propanamide is sourced from PubChem (CID 66352367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).