N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide

C12H17N3O2S — CID 134041904

IUPACN-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide
SMILESC=CCN(CCC(=O)NC(N)=O)Cc1cccs1
InChIInChI=1S/C12H17N3O2S/c1-2-6-15(9-10-4-3-8-18-10)7-5-11(16)14-12(13)17/h2-4,8H,1,5-7,9H2,(H3,13,14,16,17)
InChIKeyJJEBZVUJRAEHHO-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.32
Rot. Bonds7

About N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide

N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 134041904) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide
PubChem CID134041904
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide
SMILESC=CCN(CCC(=O)NC(N)=O)Cc1cccs1
InChIInChI=1S/C12H17N3O2S/c1-2-6-15(9-10-4-3-8-18-10)7-5-11(16)14-12(13)17/h2-4,8H,1,5-7,9H2,(H3,13,14,16,17)
InChIKeyJJEBZVUJRAEHHO-UHFFFAOYSA-N
XLogP1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115631915
N-(2-cyano-3-methylbutan-2-yl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 51199992
N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18116029
N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 78808517
N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 33073670
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 18196445
5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897652
3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 51207453
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
2-(2-aminophenyl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43248896
N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide
CID 60547622

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide (CID 134041904) is N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide is C=CCN(CCC(=O)NC(N)=O)Cc1cccs1.
What is the InChIKey of N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is JJEBZVUJRAEHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-6-15(9-10-4-3-8-18-10)7-5-11(16)14-12(13)17/h2-4,8H,1,5-7,9H2,(H3,13,14,16,17).
What are the key properties of N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide?
N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 267.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 134041904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).