N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide

C27H28N2O2S2 — CID 10322765

IUPACN-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1sc2c(c1C(=O)c1ccc(-c3ccccc3)cc1)CCSC2
InChIInChI=1S/C27H28N2O2S2/c30-24(17-29-14-5-2-6-15-29)28-27-25(22-13-16-32-18-23(22)33-27)26(31)21-11-9-20(10-12-21)19-7-3-1-4-8-19/h1,3-4,7-12H,2,5-6,13-18H2,(H,28,30)
InChIKeyWMCMRDPEQDAOJH-UHFFFAOYSA-N
MW476.67 g/mol
LogP5.86
Rot. Bonds6

About N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide

N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 10322765) has the molecular formula C27H28N2O2S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
PubChem CID10322765
Molecular FormulaC27H28N2O2S2
Molecular Weight476.67 g/mol
Exact Mass476.16
IUPAC NameN-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1sc2c(c1C(=O)c1ccc(-c3ccccc3)cc1)CCSC2
InChIInChI=1S/C27H28N2O2S2/c30-24(17-29-14-5-2-6-15-29)28-27-25(22-13-16-32-18-23(22)33-27)26(31)21-11-9-20(10-12-21)19-7-3-1-4-8-19/h1,3-4,7-12H,2,5-6,13-18H2,(H,28,30)
InChIKeyWMCMRDPEQDAOJH-UHFFFAOYSA-N
XLogP5.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 1079410
N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 10479605
N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 10321556
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 166199717
N-[3-(furan-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-piperidin-1-ylacetamide
CID 10474551
N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
CID 90686450
N-(2-methylphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 10475942
ethyl 6-benzyl-2-[(2-piperidin-1-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 10388594
2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8759636
methyl 2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 22197541
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 17265547
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;oxalic acid
CID 17481838

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide (CID 10322765) is N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)c1ccc(-c3ccccc3)cc1)CCSC2.
What is the InChIKey of N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is WMCMRDPEQDAOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S2/c30-24(17-29-14-5-2-6-15-29)28-27-25(22-13-16-32-18-23(22)33-27)26(31)21-11-9-20(10-12-21)19-7-3-1-4-8-19/h1,3-4,7-12H,2,5-6,13-18H2,(H,28,30).
What are the key properties of N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide?
N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 476.67 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 10322765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).