1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide

C20H28N2O4S — CID 68908728

IUPAC1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCOC3)CCCCC1
InChIInChI=1S/C20H28N2O4S/c1-20(6-3-2-4-7-20)19(24)21-17-16(14-5-10-26-13-15(14)27-17)18(23)22-8-11-25-12-9-22/h2-13H2,1H3,(H,21,24)
InChIKeyLDRCDIXNZOMTIO-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.20
Rot. Bonds3

About 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide

1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide (PubChem CID 68908728) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide
PubChem CID68908728
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCOC3)CCCCC1
InChIInChI=1S/C20H28N2O4S/c1-20(6-3-2-4-7-20)19(24)21-17-16(14-5-10-26-13-15(14)27-17)18(23)22-8-11-25-12-9-22/h2-13H2,1H3,(H,21,24)
InChIKeyLDRCDIXNZOMTIO-UHFFFAOYSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(morpholine-4-carbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]butanamide
CID 23796833
N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide
CID 17451681
2-(cycloheptanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
CID 68775961
N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 25485899
2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450407
tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
CID 118318290
N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide
CID 69447732
4-bromo-N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 4691001
N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 2898942
N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide
CID 2898552
N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68905692

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide (CID 68908728) is 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide is CC1(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCOC3)CCCCC1.
What is the InChIKey of 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide?
The InChIKey is LDRCDIXNZOMTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-20(6-3-2-4-7-20)19(24)21-17-16(14-5-10-26-13-15(14)27-17)18(23)22-8-11-25-12-9-22/h2-13H2,1H3,(H,21,24).
What are the key properties of 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide?
1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 68908728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).