N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide

C20H25N3O3S — CID 46669254

IUPACN-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C(NC(=O)c2cccs2)C(C)C)cc1
InChIInChI=1S/C20H25N3O3S/c1-12(2)17(23-19(25)16-6-5-11-27-16)20(26)22-15-9-7-14(8-10-15)21-18(24)13(3)4/h5-13,17H,1-4H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyGRXPKUDRLJXQGY-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.74
Rot. Bonds7

About N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 46669254) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID46669254
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C(NC(=O)c2cccs2)C(C)C)cc1
InChIInChI=1S/C20H25N3O3S/c1-12(2)17(23-19(25)16-6-5-11-27-16)20(26)22-15-9-7-14(8-10-15)21-18(24)13(3)4/h5-13,17H,1-4H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyGRXPKUDRLJXQGY-UHFFFAOYSA-N
XLogP3.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51194882
N-[1-(3-bromo-4-methylanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55555316
N-[1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195196
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-[1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46652106
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide
CID 8748790
N-[3-methyl-1-[4-(1-methylimidazole-2-carbonyl)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613852
N-[1-[(4-hydroxy-2-methylpentyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 111447667
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 46669254) is N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)C(NC(=O)c2cccs2)C(C)C)cc1.
What is the InChIKey of N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is GRXPKUDRLJXQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-12(2)17(23-19(25)16-6-5-11-27-16)20(26)22-15-9-7-14(8-10-15)21-18(24)13(3)4/h5-13,17H,1-4H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46669254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).