N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C12H18N2O2S — CID 134058776

IUPACN-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)CN(C)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-9(2)8-14(3)11(15)7-13-12(16)10-5-4-6-17-10/h4-6,9H,7-8H2,1-3H3,(H,13,16)
InChIKeyZXBFOONAAVSYLN-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.59
Rot. Bonds5

About N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 134058776) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID134058776
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)CN(C)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-9(2)8-14(3)11(15)7-13-12(16)10-5-4-6-17-10/h4-6,9H,7-8H2,1-3H3,(H,13,16)
InChIKeyZXBFOONAAVSYLN-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 113476087
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 7972132
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9108741
N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 109400317
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 78784190
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60653313
N-[2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134003801
2-methyl-5-[[methyl-[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]furan-3-carboxylic acid
CID 120522848

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 134058776) is N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide is CC(C)CN(C)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ZXBFOONAAVSYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)8-14(3)11(15)7-13-12(16)10-5-4-6-17-10/h4-6,9H,7-8H2,1-3H3,(H,13,16).
What are the key properties of N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 134058776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).