N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

C20H24N2O3S — CID 102556341

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESCCN(Cc1cccc(NC(=O)CC2OCCc3ccsc32)c1)C(C)=O
InChIInChI=1S/C20H24N2O3S/c1-3-22(14(2)23)13-15-5-4-6-17(11-15)21-19(24)12-18-20-16(7-9-25-18)8-10-26-20/h4-6,8,10-11,18H,3,7,9,12-13H2,1-2H3,(H,21,24)
InChIKeyFNHDWDUEDXSMJV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.76
Rot. Bonds6

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (PubChem CID 102556341) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
PubChem CID102556341
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESCCN(Cc1cccc(NC(=O)CC2OCCc3ccsc32)c1)C(C)=O
InChIInChI=1S/C20H24N2O3S/c1-3-22(14(2)23)13-15-5-4-6-17(11-15)21-19(24)12-18-20-16(7-9-25-18)8-10-26-20/h4-6,8,10-11,18H,3,7,9,12-13H2,1-2H3,(H,21,24)
InChIKeyFNHDWDUEDXSMJV-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 102556340
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 102557321
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
CID 36853212
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
CID 36853289
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 38808969
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 97029603
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
CID 55760971
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 34334963
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556412
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
CID 60511418

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (CID 102556341) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is CCN(Cc1cccc(NC(=O)CC2OCCc3ccsc32)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The InChIKey is FNHDWDUEDXSMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-22(14(2)23)13-15-5-4-6-17(11-15)21-19(24)12-18-20-16(7-9-25-18)8-10-26-20/h4-6,8,10-11,18H,3,7,9,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is sourced from PubChem (CID 102556341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).