N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide

C13H21ClN2OS — CID 62838497

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-4-15-10(3)8-13(17)16(5-2)9-11-6-7-12(14)18-11/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyGRHDOLGZDBVTRY-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.14
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide (PubChem CID 62838497) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide
PubChem CID62838497
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-4-15-10(3)8-13(17)16(5-2)9-11-6-7-12(14)18-11/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyGRHDOLGZDBVTRY-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 60683294
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 51314164
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
3-[2-(5-chlorothiophen-2-yl)ethylamino]butanoic acid
CID 106036883
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652311
N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide
CID 34132705
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide
CID 62674900

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide (CID 62838497) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide is CCNC(C)CC(=O)N(CC)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide?
The InChIKey is GRHDOLGZDBVTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-4-15-10(3)8-13(17)16(5-2)9-11-6-7-12(14)18-11/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide has a molecular weight of 288.84 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide is sourced from PubChem (CID 62838497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).