N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide

C23H28N4O2S — CID 53119647

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1)C1CCCCC1
InChIInChI=1S/C23H28N4O2S/c1-27(18-11-6-3-7-12-18)16-8-15-24-22(28)20-14-13-19(30-20)21-25-23(29-26-21)17-9-4-2-5-10-17/h2,4-5,9-10,13-14,18H,3,6-8,11-12,15-16H2,1H3,(H,24,28)
InChIKeyLXKMEMKVBHFADU-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.85
Rot. Bonds8

About N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide (PubChem CID 53119647) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
PubChem CID53119647
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1)C1CCCCC1
InChIInChI=1S/C23H28N4O2S/c1-27(18-11-6-3-7-12-18)16-8-15-24-22(28)20-14-13-19(30-20)21-25-23(29-26-21)17-9-4-2-5-10-17/h2,4-5,9-10,13-14,18H,3,6-8,11-12,15-16H2,1H3,(H,24,28)
InChIKeyLXKMEMKVBHFADU-UHFFFAOYSA-N
XLogP4.85
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636
5-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 53119651
N-[3-(4-ethylpiperazin-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119639
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416
N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 53119566
N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119628
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
CID 14871953
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide (CID 53119647) is N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide is CN(CCCNC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The InChIKey is LXKMEMKVBHFADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-27(18-11-6-3-7-12-18)16-8-15-24-22(28)20-14-13-19(30-20)21-25-23(29-26-21)17-9-4-2-5-10-17/h2,4-5,9-10,13-14,18H,3,6-8,11-12,15-16H2,1H3,(H,24,28).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53119647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).