5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

C15H24N2O2S — CID 47160134

IUPAC5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)C(C)CC(C)C)s1
InChIInChI=1S/C15H24N2O2S/c1-10(2)8-11(3)17(5)14(18)9-16-15(19)13-7-6-12(4)20-13/h6-7,10-11H,8-9H2,1-5H3,(H,16,19)
InChIKeyAEHVTRVUYVHMHM-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.68
Rot. Bonds6

About 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 47160134) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID47160134
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)C(C)CC(C)C)s1
InChIInChI=1S/C15H24N2O2S/c1-10(2)8-11(3)17(5)14(18)9-16-15(19)13-7-6-12(4)20-13/h6-7,10-11H,8-9H2,1-5H3,(H,16,19)
InChIKeyAEHVTRVUYVHMHM-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 97006868
2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 54999646
methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 61031833
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578701
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 79265517
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4787297
N-[(2R)-2-(ethylamino)propyl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120653284

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 47160134) is 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N(C)C(C)CC(C)C)s1.
What is the InChIKey of 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is AEHVTRVUYVHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)8-11(3)17(5)14(18)9-16-15(19)13-7-6-12(4)20-13/h6-7,10-11H,8-9H2,1-5H3,(H,16,19).
What are the key properties of 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47160134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).