N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide

C19H27NO4S — CID 47921881

IUPACN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3CCS(=O)(=O)C3)CCCCC2)cc1
InChIInChI=1S/C19H27NO4S/c1-24-17-7-5-16(6-8-17)19(10-3-2-4-11-19)14-20-18(21)15-9-12-25(22,23)13-15/h5-8,15H,2-4,9-14H2,1H3,(H,20,21)
InChIKeyYOZOQNWXAFWGKK-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.45
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide

N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 47921881) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID47921881
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC NameN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3CCS(=O)(=O)C3)CCCCC2)cc1
InChIInChI=1S/C19H27NO4S/c1-24-17-7-5-16(6-8-17)19(10-3-2-4-11-19)14-20-18(21)15-9-12-25(22,23)13-15/h5-8,15H,2-4,9-14H2,1H3,(H,20,21)
InChIKeyYOZOQNWXAFWGKK-UHFFFAOYSA-N
XLogP2.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 135113473
(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97123369
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 127832089
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 71918441
1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide (CID 47921881) is N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide is COc1ccc(C2(CNC(=O)C3CCS(=O)(=O)C3)CCCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is YOZOQNWXAFWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-24-17-7-5-16(6-8-17)19(10-3-2-4-11-19)14-20-18(21)15-9-12-25(22,23)13-15/h5-8,15H,2-4,9-14H2,1H3,(H,20,21).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide?
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 47921881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).