N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C14H22N2O3S — CID 61039914

IUPACN-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-10(2)16(7-5-8-17)14(19)11(3)15-13(18)12-6-4-9-20-12/h4,6,9-11,17H,5,7-8H2,1-3H3,(H,15,18)
InChIKeyXUXUPKRKEBXNOY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.49
Rot. Bonds7

About N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 61039914) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID61039914
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-10(2)16(7-5-8-17)14(19)11(3)15-13(18)12-6-4-9-20-12/h4,6,9-11,17H,5,7-8H2,1-3H3,(H,15,18)
InChIKeyXUXUPKRKEBXNOY-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate
CID 61009497
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
nonyl 2-(thiophene-2-carbonylamino)propanoate
CID 6422194
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78821590

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 61039914) is N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is XUXUPKRKEBXNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)16(7-5-8-17)14(19)11(3)15-13(18)12-6-4-9-20-12/h4,6,9-11,17H,5,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 61039914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).