N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C21H32N2O3S2 — CID 124835540

IUPACN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCC[C@H]1c2ccsc2CCN1CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C21H32N2O3S2/c1-2-19-18-9-12-27-20(18)8-11-22(19)14-21(24)23(16-6-4-3-5-7-16)17-10-13-28(25,26)15-17/h9,12,16-17,19H,2-8,10-11,13-15H2,1H3/t17-,19-/m0/s1
InChIKeyWKQKKJYYEOTIDK-HKUYNNGSSA-N
MW424.63 g/mol
LogP3.41
Rot. Bonds5

About N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 124835540) has the molecular formula C21H32N2O3S2 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID124835540
Molecular FormulaC21H32N2O3S2
Molecular Weight424.63 g/mol
Exact Mass424.19
IUPAC NameN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCC[C@H]1c2ccsc2CCN1CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C21H32N2O3S2/c1-2-19-18-9-12-27-20(18)8-11-22(19)14-21(24)23(16-6-4-3-5-7-16)17-10-13-28(25,26)15-17/h9,12,16-17,19H,2-8,10-11,13-15H2,1H3/t17-,19-/m0/s1
InChIKeyWKQKKJYYEOTIDK-HKUYNNGSSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide with MolForge

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Related Compounds

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
CID 86953436
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CID 32663956
2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propan-2-ylacetamide
CID 27120884
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
2-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 98786584
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(triazol-1-yl)acetamide
CID 164640200
2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 75426289
N-cyclopentyl-2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 31320614
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919657
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51727046
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 124835540) is N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is CC[C@H]1c2ccsc2CCN1CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is WKQKKJYYEOTIDK-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H32N2O3S2/c1-2-19-18-9-12-27-20(18)8-11-22(19)14-21(24)23(16-6-4-3-5-7-16)17-10-13-28(25,26)15-17/h9,12,16-17,19H,2-8,10-11,13-15H2,1H3/t17-,19-/m0/s1.
What are the key properties of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 424.63 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 124835540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).