N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C17H27N3O3S — CID 47798414

IUPACN-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)C(NC(=O)c1cccs1)C(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H27N3O3S/c1-10(2)13(19-15(22)12-8-7-9-24-12)16(23)18-11(3)14(21)20-17(4,5)6/h7-11,13H,1-6H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyTTYDOJZDGMTZJK-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.92
Rot. Bonds6

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

N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 47798414) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID47798414
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)C(NC(=O)c1cccs1)C(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H27N3O3S/c1-10(2)13(19-15(22)12-8-7-9-24-12)16(23)18-11(3)14(21)20-17(4,5)6/h7-11,13H,1-6H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyTTYDOJZDGMTZJK-UHFFFAOYSA-N
XLogP1.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-[(3-hydroxy-2-methylbutan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 115884647
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[1-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 134049210
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[1-[1-(2,5-dimethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46564443
N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119521422
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
2-[[3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]butanoic acid
CID 119223879
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
N-[1-[(4-hydroxy-2-methylpentyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 111447667

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 47798414) is N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(NC(=O)C(NC(=O)c1cccs1)C(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is TTYDOJZDGMTZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-10(2)13(19-15(22)12-8-7-9-24-12)16(23)18-11(3)14(21)20-17(4,5)6/h7-11,13H,1-6H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47798414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).