N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide

C24H26N2O3S — CID 55583269

IUPACN-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17(2)22(26-23(27)21-9-6-14-30-21)24(28)25-15-18-10-12-20(13-11-18)29-16-19-7-4-3-5-8-19/h3-14,17,22H,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySVOKNMZOYBHARH-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.40
Rot. Bonds9

About N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide (PubChem CID 55583269) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide
PubChem CID55583269
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17(2)22(26-23(27)21-9-6-14-30-21)24(28)25-15-18-10-12-20(13-11-18)29-16-19-7-4-3-5-8-19/h3-14,17,22H,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySVOKNMZOYBHARH-UHFFFAOYSA-N
XLogP4.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42955486
N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42959799
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 2598147
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4799830
N-[(2S)-1-[4-(4-fluorophenoxy)butylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 30857084
N-[1-[4-(4-fluorophenoxy)butylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42921533
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46442262
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195458
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide (CID 55583269) is N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide?
The InChIKey is SVOKNMZOYBHARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17(2)22(26-23(27)21-9-6-14-30-21)24(28)25-15-18-10-12-20(13-11-18)29-16-19-7-4-3-5-8-19/h3-14,17,22H,15-16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide?
N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55583269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).