N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide

C18H23NO5S — CID 7118398

IUPACN-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide
SMILESCOc1ccc(N(C(=O)C2CCCC2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1
InChIInChI=1S/C18H23NO5S/c1-23-15-7-8-16(17(11-15)24-2)19(14-9-10-25(21,22)12-14)18(20)13-5-3-4-6-13/h7-11,13-14H,3-6,12H2,1-2H3/t14-/m1/s1
InChIKeyZBFYHVBGLNRMBI-CQSZACIVSA-N
MW365.45 g/mol
LogP2.54
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide

N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide (PubChem CID 7118398) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide
PubChem CID7118398
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide
SMILESCOc1ccc(N(C(=O)C2CCCC2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1
InChIInChI=1S/C18H23NO5S/c1-23-15-7-8-16(17(11-15)24-2)19(14-9-10-25(21,22)12-14)18(20)13-5-3-4-6-13/h7-11,13-14H,3-6,12H2,1-2H3/t14-/m1/s1
InChIKeyZBFYHVBGLNRMBI-CQSZACIVSA-N
XLogP2.54
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40506019
N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3,5-dimethoxybenzamide
CID 41235963
N-(2,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]butanamide
CID 40505998
N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methoxybenzamide
CID 3243235
N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2,6-difluorobenzamide
CID 43954807
N-(2,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-phenylpropanamide
CID 7486837
(2S)-N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-phenoxypropanamide
CID 40505996
N-(2,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide
CID 40506015
2-chloro-N-(2,4-dimethoxyphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluorobenzamide
CID 43954808
2-chloro-N-(2,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-fluorobenzamide
CID 41235956
N-(3-chloro-4-methylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclohexanecarboxamide
CID 40706184
N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide
CID 18888026

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide (CID 7118398) is N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide is COc1ccc(N(C(=O)C2CCCC2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide?
The InChIKey is ZBFYHVBGLNRMBI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-23-15-7-8-16(17(11-15)24-2)19(14-9-10-25(21,22)12-14)18(20)13-5-3-4-6-13/h7-11,13-14H,3-6,12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide?
N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide has a molecular weight of 365.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 7118398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).