N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C18H28N2O2S — CID 43057458

IUPACN-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C18H28N2O2S/c1-13(2)16(19-17(21)15-10-7-11-23-15)18(22)20(3)12-14-8-5-4-6-9-14/h7,10-11,13-14,16H,4-6,8-9,12H2,1-3H3,(H,19,21)
InChIKeyBRTDIUIMCNWCLL-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.54
Rot. Bonds6

About N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 43057458) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID43057458
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C18H28N2O2S/c1-13(2)16(19-17(21)15-10-7-11-23-15)18(22)20(3)12-14-8-5-4-6-9-14/h7,10-11,13-14,16H,4-6,8-9,12H2,1-3H3,(H,19,21)
InChIKeyBRTDIUIMCNWCLL-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110003601
N-[1-[(4-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195706
N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39964677
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119591130
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195458
N-[(2S)-3-methyl-1-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 97077404
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119397586
N-[1-(3-cyclohexyloxypropylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613206
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887
N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119513122
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558012
2-methyl-5-[[methyl-[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222474

Frequently Asked Questions

What is the IUPAC name of N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 43057458) is N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)N(C)CC1CCCCC1.
What is the InChIKey of N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is BRTDIUIMCNWCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-13(2)16(19-17(21)15-10-7-11-23-15)18(22)20(3)12-14-8-5-4-6-9-14/h7,10-11,13-14,16H,4-6,8-9,12H2,1-3H3,(H,19,21).
What are the key properties of N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43057458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).