5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide

C18H24N2O3S — CID 95157907

IUPAC5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide
SMILESCCC(CC)[C@@H](NC(=O)c1ccc(CNC(C)=O)o1)c1cccs1
InChIInChI=1S/C18H24N2O3S/c1-4-13(5-2)17(16-7-6-10-24-16)20-18(22)15-9-8-14(23-15)11-19-12(3)21/h6-10,13,17H,4-5,11H2,1-3H3,(H,19,21)(H,20,22)/t17-/m1/s1
InChIKeyBCJXYCHNJHNCMM-QGZVFWFLSA-N
MW348.47 g/mol
LogP3.88
Rot. Bonds8

About 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide

5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide (PubChem CID 95157907) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide
PubChem CID95157907
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide
SMILESCCC(CC)[C@@H](NC(=O)c1ccc(CNC(C)=O)o1)c1cccs1
InChIInChI=1S/C18H24N2O3S/c1-4-13(5-2)17(16-7-6-10-24-16)20-18(22)15-9-8-14(23-15)11-19-12(3)21/h6-10,13,17H,4-5,11H2,1-3H3,(H,19,21)(H,20,22)/t17-/m1/s1
InChIKeyBCJXYCHNJHNCMM-QGZVFWFLSA-N
XLogP3.88
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(acetamidomethyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]furan-2-carboxamide
CID 96525205
4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 55904549
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
CID 43222470
N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide
CID 55903262
5-(phenoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 33465538
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
CID 51966644
5-(acetamidomethyl)-N-[(1S,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]furan-2-carboxamide
CID 97246805
5-(methanesulfonamidomethyl)-N-(1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
CID 75377815
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
CID 94635932
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
CID 63524768

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide (CID 95157907) is 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide is CCC(CC)[C@@H](NC(=O)c1ccc(CNC(C)=O)o1)c1cccs1.
What is the InChIKey of 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide?
The InChIKey is BCJXYCHNJHNCMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-13(5-2)17(16-7-6-10-24-16)20-18(22)15-9-8-14(23-15)11-19-12(3)21/h6-10,13,17H,4-5,11H2,1-3H3,(H,19,21)(H,20,22)/t17-/m1/s1.
What are the key properties of 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide?
5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide is sourced from PubChem (CID 95157907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).