N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide

C10H12ClNOS — CID 112726739

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
SMILESCC=CC(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNOS/c1-3-4-10(13)12-7(2)8-5-6-9(11)14-8/h3-7H,1-2H3,(H,12,13)
InChIKeyGTGQJXQDPLVRAL-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.15
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide

N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide (PubChem CID 112726739) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
PubChem CID112726739
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
SMILESCC=CC(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNOS/c1-3-4-10(13)12-7(2)8-5-6-9(11)14-8/h3-7H,1-2H3,(H,12,13)
InChIKeyGTGQJXQDPLVRAL-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
CID 81409323
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide
CID 47028293
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide (CID 112726739) is N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide is CC=CC(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide?
The InChIKey is GTGQJXQDPLVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-3-4-10(13)12-7(2)8-5-6-9(11)14-8/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide has a molecular weight of 229.73 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide is sourced from PubChem (CID 112726739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).