N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C20H26N2O2S — CID 46476036

IUPACN-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCCc1ccc(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)s1
InChIInChI=1S/C20H26N2O2S/c1-5-16-9-10-17(25-16)12-21-20(24)18(13(2)3)22-19(23)15-8-6-7-14(4)11-15/h6-11,13,18H,5,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyDDKDTCCMWJYTRE-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.69
Rot. Bonds7

About N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 46476036) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID46476036
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCCc1ccc(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)s1
InChIInChI=1S/C20H26N2O2S/c1-5-16-9-10-17(25-16)12-21-20(24)18(13(2)3)22-19(23)15-8-6-7-14(4)11-15/h6-11,13,18H,5,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyDDKDTCCMWJYTRE-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
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N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
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N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51316830
N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
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N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 46476036) is N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is CCc1ccc(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)s1.
What is the InChIKey of N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is DDKDTCCMWJYTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-5-16-9-10-17(25-16)12-21-20(24)18(13(2)3)22-19(23)15-8-6-7-14(4)11-15/h6-11,13,18H,5,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 358.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 46476036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).