N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide

C17H20N2OS — CID 4573039

IUPACN-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCNCC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C17H20N2OS/c1-2-10-18-12-17(20)19(14-16-9-6-11-21-16)13-15-7-4-3-5-8-15/h2-9,11,18H,1,10,12-14H2
InChIKeySASSAFLIEMPSTI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.05
Rot. Bonds8

About N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4573039) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4573039
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCNCC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C17H20N2OS/c1-2-10-18-12-17(20)19(14-16-9-6-11-21-16)13-15-7-4-3-5-8-15/h2-9,11,18H,1,10,12-14H2
InChIKeySASSAFLIEMPSTI-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylazanium
CID 7218416
N-benzyl-2-[phenylcarbamoyl(prop-2-enyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3995842
N-benzyl-2-[[(2R)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 7264489
1-(prop-2-enylamino)-4-thiophen-2-ylbutan-2-one
CID 116589779
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-prop-2-enylbenzamide
CID 3957992
N-benzyl-2-[(2-fluorophenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4664024
2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
CID 79275664
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylazanium
CID 7417837
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3466924
N-ethyl-N-[(3-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285693
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 46371517

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 4573039) is N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide is C=CCNCC(=O)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SASSAFLIEMPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-10-18-12-17(20)19(14-16-9-6-11-21-16)13-15-7-4-3-5-8-15/h2-9,11,18H,1,10,12-14H2.
What are the key properties of N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4573039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).