N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C21H32N2O2S — CID 90511039

IUPACN-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C21H32N2O2S/c24-20(17-15-23(16-17)21(25)19-13-10-14-26-19)22-18-11-8-6-4-2-1-3-5-7-9-12-18/h10,13-14,17-18H,1-9,11-12,15-16H2,(H,22,24)
InChIKeyHATUWTQRPITOGB-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.61
Rot. Bonds3

About N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511039) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511039
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC NameN-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C21H32N2O2S/c24-20(17-15-23(16-17)21(25)19-13-10-14-26-19)22-18-11-8-6-4-2-1-3-5-7-9-12-18/h10,13-14,17-18H,1-9,11-12,15-16H2,(H,22,24)
InChIKeyHATUWTQRPITOGB-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-(2-oxothiolan-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 52992954
(3R)-1-(thiophene-2-carbonyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 30787670
(3S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743110
(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
1-(thiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 90511244
1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90511056
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511039) is N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is O=C(NC1CCCCCCCCCCC1)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is HATUWTQRPITOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c24-20(17-15-23(16-17)21(25)19-13-10-14-26-19)22-18-11-8-6-4-2-1-3-5-7-9-12-18/h10,13-14,17-18H,1-9,11-12,15-16H2,(H,22,24).
What are the key properties of N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 376.57 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).