N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C20H26N2O3S — CID 42955486

IUPACN-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCCOCc1ccc(CNC(=O)C(NC(=O)c2cccs2)C(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-25-13-16-9-7-15(8-10-16)12-21-20(24)18(14(2)3)22-19(23)17-6-5-11-26-17/h5-11,14,18H,4,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyIHPBFFDLQZFJMK-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.36
Rot. Bonds9

About N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 42955486) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID42955486
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCCOCc1ccc(CNC(=O)C(NC(=O)c2cccs2)C(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-25-13-16-9-7-15(8-10-16)12-21-20(24)18(14(2)3)22-19(23)17-6-5-11-26-17/h5-11,14,18H,4,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyIHPBFFDLQZFJMK-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide
CID 55583269
N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46442262
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
(2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 95636315
N-[3-methyl-1-[(2-methylpyrazol-3-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42958272
N-[1-[(4-hydroxy-2-methylpentyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 111447667
2-[[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245150
2-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]butanoic acid
CID 119223879
N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42932311
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 42955486) is N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CCOCc1ccc(CNC(=O)C(NC(=O)c2cccs2)C(C)C)cc1.
What is the InChIKey of N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is IHPBFFDLQZFJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-25-13-16-9-7-15(8-10-16)12-21-20(24)18(14(2)3)22-19(23)17-6-5-11-26-17/h5-11,14,18H,4,12-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42955486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).