2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide

C12H19ClN2O2S — CID 54956748

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2O2S/c1-9(10-4-5-11(13)18-10)15-8-12(16)14-6-3-7-17-2/h4-5,9,15H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyCRURWUYFFNAKFP-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.20
Rot. Bonds8

About 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide

2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 54956748) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide
PubChem CID54956748
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2O2S/c1-9(10-4-5-11(13)18-10)15-8-12(16)14-6-3-7-17-2/h4-5,9,15H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyCRURWUYFFNAKFP-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 61469359
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 60641631
N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
CID 61469757
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
N-(3-methoxypropyl)-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361482
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide (CID 54956748) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is CRURWUYFFNAKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-9(10-4-5-11(13)18-10)15-8-12(16)14-6-3-7-17-2/h4-5,9,15H,3,6-8H2,1-2H3,(H,14,16).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide?
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 290.82 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 54956748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).