(2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane

C24H43NO4S3 — CID 142154250

IUPAC(2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane
SMILESCC.CS.CSC.C[C@@H]1OCC(=O)C1NC(=O)[C@H](CC1CCCCC1)SCc1ccco1
InChIInChI=1S/C19H27NO4S.C2H6S.C2H6.CH4S/c1-13-18(16(21)11-24-13)20-19(22)17(10-14-6-3-2-4-7-14)25-12-15-8-5-9-23-15;1-3-2;2*1-2/h5,8-9,13-14,17-18H,2-4,6-7,10-12H2,1H3,(H,20,22);1-2H3;1-2H3;2H,1H3/t13-,17-,18?;;;/m0.../s1
InChIKeyKSBHNXFPCBZNGI-DTQMXBEZSA-N
MW505.81 g/mol
LogP5.88
Rot. Bonds7

About (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane

(2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane (PubChem CID 142154250) has the molecular formula C24H43NO4S3 and a molecular weight of 505.81 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane
PubChem CID142154250
Molecular FormulaC24H43NO4S3
Molecular Weight505.81 g/mol
Exact Mass505.24
IUPAC Name(2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane
SMILESCC.CS.CSC.C[C@@H]1OCC(=O)C1NC(=O)[C@H](CC1CCCCC1)SCc1ccco1
InChIInChI=1S/C19H27NO4S.C2H6S.C2H6.CH4S/c1-13-18(16(21)11-24-13)20-19(22)17(10-14-6-3-2-4-7-14)25-12-15-8-5-9-23-15;1-3-2;2*1-2/h5,8-9,13-14,17-18H,2-4,6-7,10-12H2,1H3,(H,20,22);1-2H3;1-2H3;2H,1H3/t13-,17-,18?;;;/m0.../s1
InChIKeyKSBHNXFPCBZNGI-DTQMXBEZSA-N
XLogP5.88
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.81
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-(cyclohexylmethyl)-N-[(3R)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
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(2R)-2-(cyclohexylmethyl)-N-[(3S)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91189213
2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide
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N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780967
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
2-(cyclobutylmethyl)furan
CID 139469251
2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
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1-cyclopentyl-3-(furan-2-yl)propan-2-amine
CID 105029465
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N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane?
The IUPAC name of (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane (CID 142154250) is (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane?
The canonical SMILES for (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane is CC.CS.CSC.C[C@@H]1OCC(=O)C1NC(=O)[C@H](CC1CCCCC1)SCc1ccco1.
What is the InChIKey of (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane?
The InChIKey is KSBHNXFPCBZNGI-DTQMXBEZSA-N. The full InChI is InChI=1S/C19H27NO4S.C2H6S.C2H6.CH4S/c1-13-18(16(21)11-24-13)20-19(22)17(10-14-6-3-2-4-7-14)25-12-15-8-5-9-23-15;1-3-2;2*1-2/h5,8-9,13-14,17-18H,2-4,6-7,10-12H2,1H3,(H,20,22);1-2H3;1-2H3;2H,1H3/t13-,17-,18?;;;/m0.../s1.
What are the key properties of (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane?
(2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane has a molecular weight of 505.81 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane is sourced from PubChem (CID 142154250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).