N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide

C19H24N2O3S — CID 51195458

IUPACN-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)17(20-18(22)16-10-7-13-25-16)19(23)21(3)11-12-24-15-8-5-4-6-9-15/h4-10,13-14,17H,11-12H2,1-3H3,(H,20,22)
InChIKeyKTIFIGGXEDCERO-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.04
Rot. Bonds8

About N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 51195458) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID51195458
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)17(20-18(22)16-10-7-13-25-16)19(23)21(3)11-12-24-15-8-5-4-6-9-15/h4-10,13-14,17H,11-12H2,1-3H3,(H,20,22)
InChIKeyKTIFIGGXEDCERO-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873
N-[(2S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24552177
N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39964677
N-[(2S)-3-methyl-1-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 97077404
N-[1-[(4-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195706
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43039188
2-(aminomethyl)-N,3-dimethyl-N-(2-phenoxyethyl)butanamide
CID 65229723
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78821590
2-methyl-5-[[methyl-[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222474
N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 43057458
N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide
CID 55583269

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 51195458) is N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)N(C)CCOc1ccccc1.
What is the InChIKey of N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is KTIFIGGXEDCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)17(20-18(22)16-10-7-13-25-16)19(23)21(3)11-12-24-15-8-5-4-6-9-15/h4-10,13-14,17H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51195458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).