N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide

C16H20N2O2S2 — CID 71690078

IUPACN-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2cccs2)cs1
InChIInChI=1S/C16H20N2O2S2/c19-16(17-4-2-5-18-6-8-20-9-7-18)15-11-13(12-22-15)14-3-1-10-21-14/h1,3,10-12H,2,4-9H2,(H,17,19)
InChIKeyLGFPWQKNYGCNPL-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.93
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide

N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide (PubChem CID 71690078) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
PubChem CID71690078
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2cccs2)cs1
InChIInChI=1S/C16H20N2O2S2/c19-16(17-4-2-5-18-6-8-20-9-7-18)15-11-13(12-22-15)14-3-1-10-21-14/h1,3,10-12H,2,4-9H2,(H,17,19)
InChIKeyLGFPWQKNYGCNPL-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433620
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 10091411
N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690068
N-(3-morpholin-4-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
CID 10433757
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
N-(3-morpholin-4-ylpropyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416688
2-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-nitrophenyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 19815917
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(3-morpholin-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 17465579
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119696
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide (CID 71690078) is N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2cccs2)cs1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide?
The InChIKey is LGFPWQKNYGCNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c19-16(17-4-2-5-18-6-8-20-9-7-18)15-11-13(12-22-15)14-3-1-10-21-14/h1,3,10-12H,2,4-9H2,(H,17,19).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 71690078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).