N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide

C24H35NO3S — CID 5008281

IUPACN-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide
SMILESCCOc1ccc2c(c1)C(SCC(=O)NC1CCCCCC1)CC1(CCCC1)O2
InChIInChI=1S/C24H35NO3S/c1-2-27-19-11-12-21-20(15-19)22(16-24(28-21)13-7-8-14-24)29-17-23(26)25-18-9-5-3-4-6-10-18/h11-12,15,18,22H,2-10,13-14,16-17H2,1H3,(H,25,26)
InChIKeyFRHMSAXGXTZQHF-UHFFFAOYSA-N
MW417.62 g/mol
LogP5.79
Rot. Bonds6

About N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide

N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide (PubChem CID 5008281) has the molecular formula C24H35NO3S and a molecular weight of 417.62 g/mol. Its IUPAC name is N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide
PubChem CID5008281
Molecular FormulaC24H35NO3S
Molecular Weight417.62 g/mol
Exact Mass417.23
IUPAC NameN-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide
SMILESCCOc1ccc2c(c1)C(SCC(=O)NC1CCCCCC1)CC1(CCCC1)O2
InChIInChI=1S/C24H35NO3S/c1-2-27-19-11-12-21-20(15-19)22(16-24(28-21)13-7-8-14-24)29-17-23(26)25-18-9-5-3-4-6-10-18/h11-12,15,18,22H,2-10,13-14,16-17H2,1H3,(H,25,26)
InChIKeyFRHMSAXGXTZQHF-UHFFFAOYSA-N
XLogP5.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]sulfanylpropanoic acid
CID 92864019
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanylethanone
CID 6619825
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylethanone
CID 5008290
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide
CID 4160243
2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetate
CID 4126484
(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 93174887
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
3-amino-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 82020729
6-ethoxy-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82046925
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide (CID 5008281) is N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide is CCOc1ccc2c(c1)C(SCC(=O)NC1CCCCCC1)CC1(CCCC1)O2.
What is the InChIKey of N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide?
The InChIKey is FRHMSAXGXTZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3S/c1-2-27-19-11-12-21-20(15-19)22(16-24(28-21)13-7-8-14-24)29-17-23(26)25-18-9-5-3-4-6-10-18/h11-12,15,18,22H,2-10,13-14,16-17H2,1H3,(H,25,26).
What are the key properties of N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide?
N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide has a molecular weight of 417.62 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylacetamide is sourced from PubChem (CID 5008281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).