N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide

C9H8ClNOS — CID 130639217

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
SMILESC#CC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C9H8ClNOS/c1-3-9(12)11(2)6-7-4-5-8(10)13-7/h1,4-5H,6H2,2H3
InChIKeyURHLVYAOCLCKAH-UHFFFAOYSA-N
MW213.69 g/mol
LogP1.99
Rot. Bonds2

About N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide (PubChem CID 130639217) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
PubChem CID130639217
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
SMILESC#CC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C9H8ClNOS/c1-3-9(12)11(2)6-7-4-5-8(10)13-7/h1,4-5H,6H2,2H3
InChIKeyURHLVYAOCLCKAH-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62491611
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
2-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]-prop-2-ynylamino]acetic acid
CID 79284407
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[(5-chlorothiophen-2-yl)methyl]-N-methylazepane-1-carboxamide
CID 116654598
N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 114038099
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide (CID 130639217) is N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide is C#CC(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide?
The InChIKey is URHLVYAOCLCKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c1-3-9(12)11(2)6-7-4-5-8(10)13-7/h1,4-5H,6H2,2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide has a molecular weight of 213.69 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide is sourced from PubChem (CID 130639217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).