N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide

C18H25NO4S — CID 102565825

IUPACN-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccc(N(C(=O)C2CCCCC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H25NO4S/c1-23-17-9-7-15(8-10-17)19(16-11-12-24(21,22)13-16)18(20)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-13H2,1H3
InChIKeyCSVJNVIQYCTSEB-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.80
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide

N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide (PubChem CID 102565825) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide
PubChem CID102565825
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccc(N(C(=O)C2CCCCC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H25NO4S/c1-23-17-9-7-15(8-10-17)19(16-11-12-24(21,22)13-16)18(20)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-13H2,1H3
InChIKeyCSVJNVIQYCTSEB-UHFFFAOYSA-N
XLogP2.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
3-(N-[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 26207316
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-methoxyphenyl)methyl-methylamino]-N-phenylacetamide
CID 8793233
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 51673209
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 124811995
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 7259865
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 55446420
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7116274
2-chloro-N-(3,4-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 46398649
2-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 78826539
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
1-[4-[4-[4-[carbamoyl-(1,1-dioxothiolan-3-yl)amino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-(1,1-dioxothiolan-3-yl)urea
CID 138111739

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide (CID 102565825) is N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide is COc1ccc(N(C(=O)C2CCCCC2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide?
The InChIKey is CSVJNVIQYCTSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-23-17-9-7-15(8-10-17)19(16-11-12-24(21,22)13-16)18(20)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide?
N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 102565825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).