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

C12H16ClNOS — CID 47028293

IUPAC(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-4-5-8(2)12(15)14-9(3)10-6-7-11(13)16-10/h5-7,9H,4H2,1-3H3,(H,14,15)/b8-5-
InChIKeyQVNNVPNURGLFPZ-YVMONPNESA-N
MW257.79 g/mol
LogP3.93
Rot. Bonds4

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

(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide (PubChem CID 47028293) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide
PubChem CID47028293
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-4-5-8(2)12(15)14-9(3)10-6-7-11(13)16-10/h5-7,9H,4H2,1-3H3,(H,14,15)/b8-5-
InChIKeyQVNNVPNURGLFPZ-YVMONPNESA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.93
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
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
CID 112726739
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 61470581
N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide
CID 54954733
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497
(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
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide (CID 47028293) is (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide?
The InChIKey is QVNNVPNURGLFPZ-YVMONPNESA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-4-5-8(2)12(15)14-9(3)10-6-7-11(13)16-10/h5-7,9H,4H2,1-3H3,(H,14,15)/b8-5-.
What are the key properties of (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide?
(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide has a molecular weight of 257.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide is sourced from PubChem (CID 47028293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).