N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide

C9H13N3O2S — CID 60976114

IUPACN-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide
SMILESNC(=O)NC(=O)CNCCc1ccsc1
InChIInChI=1S/C9H13N3O2S/c10-9(14)12-8(13)5-11-3-1-7-2-4-15-6-7/h2,4,6,11H,1,3,5H2,(H3,10,12,13,14)
InChIKeyRESBVQYLOCIHOB-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.08
Rot. Bonds5

About N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide

N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide (PubChem CID 60976114) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide
PubChem CID60976114
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide
SMILESNC(=O)NC(=O)CNCCc1ccsc1
InChIInChI=1S/C9H13N3O2S/c10-9(14)12-8(13)5-11-3-1-7-2-4-15-6-7/h2,4,6,11H,1,3,5H2,(H3,10,12,13,14)
InChIKeyRESBVQYLOCIHOB-UHFFFAOYSA-N
XLogP0.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875
N-(2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958029
3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide
CID 61475450
ethyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 64579329
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840
5-thiophen-3-ylpentanamide
CID 11171370
benzyl 2-methyl-3-(2-thiophen-3-ylethylamino)propanoate
CID 106483976
N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
CID 113409977
(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
CID 61474151
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725
N,N-diethyl-3-(2-thiophen-3-ylethylamino)propanamide
CID 113411312

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide?
The IUPAC name of N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide (CID 60976114) is N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide?
The canonical SMILES for N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide is NC(=O)NC(=O)CNCCc1ccsc1.
What is the InChIKey of N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide?
The InChIKey is RESBVQYLOCIHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-9(14)12-8(13)5-11-3-1-7-2-4-15-6-7/h2,4,6,11H,1,3,5H2,(H3,10,12,13,14).
What are the key properties of N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide?
N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide has a molecular weight of 227.29 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide is sourced from PubChem (CID 60976114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).