N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide

C14H17NO2S2 — CID 46993383

IUPACN-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
SMILESCCC(CO)N(Cc1ccsc1)C(=O)c1ccsc1
InChIInChI=1S/C14H17NO2S2/c1-2-13(8-16)15(7-11-3-5-18-9-11)14(17)12-4-6-19-10-12/h3-6,9-10,13,16H,2,7-8H2,1H3
InChIKeyQNZAEYSMFYTDTI-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.22
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide

N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 46993383) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
PubChem CID46993383
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
SMILESCCC(CO)N(Cc1ccsc1)C(=O)c1ccsc1
InChIInChI=1S/C14H17NO2S2/c1-2-13(8-16)15(7-11-3-5-18-9-11)14(17)12-4-6-19-10-12/h3-6,9-10,13,16H,2,7-8H2,1H3
InChIKeyQNZAEYSMFYTDTI-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide
CID 50973233
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
CID 50983418
2-[[5-(hydroxymethyl)furan-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
CID 47000015
2-[[1-hydroxybutan-2-yl(thiophen-3-ylmethyl)amino]methyl]-6-methylphenol
CID 46986928
2-amino-N-propan-2-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66569001
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618
N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 95046623
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
2-[1,3-benzodioxol-4-ylmethyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 46991741
N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 50971715
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide (CID 46993383) is N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide is CCC(CO)N(Cc1ccsc1)C(=O)c1ccsc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is QNZAEYSMFYTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-2-13(8-16)15(7-11-3-5-18-9-11)14(17)12-4-6-19-10-12/h3-6,9-10,13,16H,2,7-8H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide?
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 46993383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).