2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

C11H14ClNOS — CID 50987501

IUPAC2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)C(C)Cl
InChIInChI=1S/C11H14ClNOS/c1-3-6-13(11(14)9(2)12)8-10-5-4-7-15-10/h3-5,7,9H,1,6,8H2,2H3
InChIKeyIMXRYFAWSYWFNI-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.89
Rot. Bonds5

About 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 50987501) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID50987501
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)C(C)Cl
InChIInChI=1S/C11H14ClNOS/c1-3-6-13(11(14)9(2)12)8-10-5-4-7-15-10/h3-5,7,9H,1,6,8H2,2H3
InChIKeyIMXRYFAWSYWFNI-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 4962388
N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
LON-WEI-8f408cad-5
CID 7131790
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 2465947
2-chloro-N-methyl-N-(thien-2-ylmethyl)acetamide
CID 2543182
N,N-diethylthiophene-2-carboxamide
CID 962897
2-Thiophenemethylamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride
CID 116407
2-chloro-N-(1-(thiophen-2-yl)ethyl)acetamide
CID 4961595
2-chloro-N-methyl-N-((3-methylthiophen-2-yl)methyl)acetamide
CID 16226905
2-[4-(2-Chloroacetyl)piperazin-1-yl]-2-(thiophen-2-yl)acetonitrile
CID 16227447
2-chloro-N-((thiophen-2-yl)methyl)acetamide
CID 1805993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (CID 50987501) is 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is C=CCN(Cc1cccs1)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is IMXRYFAWSYWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-3-6-13(11(14)9(2)12)8-10-5-4-7-15-10/h3-5,7,9H,1,6,8H2,2H3.
What are the key properties of 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 243.76 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 50987501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).