4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide

C25H32N2O3S — CID 110232936

IUPAC4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccccc2-c2ccsc2)CN(C(=O)C2CCCCC2)CCO1
InChIInChI=1S/C25H32N2O3S/c1-26(2)24(29)25(16-20-10-6-7-11-22(20)21-12-15-31-17-21)18-27(13-14-30-25)23(28)19-8-4-3-5-9-19/h6-7,10-12,15,17,19H,3-5,8-9,13-14,16,18H2,1-2H3
InChIKeyDEPMTMBMOPYTMH-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.22
Rot. Bonds5

About 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide

4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232936) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232936
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC Name4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccccc2-c2ccsc2)CN(C(=O)C2CCCCC2)CCO1
InChIInChI=1S/C25H32N2O3S/c1-26(2)24(29)25(16-20-10-6-7-11-22(20)21-12-15-31-17-21)18-27(13-14-30-25)23(28)19-8-4-3-5-9-19/h6-7,10-12,15,17,19H,3-5,8-9,13-14,16,18H2,1-2H3
InChIKeyDEPMTMBMOPYTMH-UHFFFAOYSA-N
XLogP4.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232934
(2R)-4-(cyclohexanecarbonyl)-N-methyl-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610069
(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605696
(2S)-4-(cyclobutanecarbonyl)-N,N-dimethyl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849045
N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232871
4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232947
4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232870
(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605600
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758
4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232948
2-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethyl-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 110232959

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232936) is 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is CN(C)C(=O)C1(Cc2ccccc2-c2ccsc2)CN(C(=O)C2CCCCC2)CCO1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is DEPMTMBMOPYTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-26(2)24(29)25(16-20-10-6-7-11-22(20)21-12-15-31-17-21)18-27(13-14-30-25)23(28)19-8-4-3-5-9-19/h6-7,10-12,15,17,19H,3-5,8-9,13-14,16,18H2,1-2H3.
What are the key properties of 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).