2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide

C19H21NO4S — CID 72879978

IUPAC2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)Cc1csc(C(C)=O)c1)C2
InChIInChI=1S/C19H21NO4S/c1-12(21)18-6-13(11-25-18)7-19(22)20-9-14-5-15-3-4-16(23-2)8-17(15)24-10-14/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,20,22)
InChIKeyWKUBAWZABWNMEL-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.87
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide (PubChem CID 72879978) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
PubChem CID72879978
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)Cc1csc(C(C)=O)c1)C2
InChIInChI=1S/C19H21NO4S/c1-12(21)18-6-13(11-25-18)7-19(22)20-9-14-5-15-3-4-16(23-2)8-17(15)24-10-14/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,20,22)
InChIKeyWKUBAWZABWNMEL-UHFFFAOYSA-N
XLogP2.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 97282710
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide
CID 97279612
4,4,4-trifluoro-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butanamide
CID 97153393
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide
CID 97436579
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 97268936
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide (CID 72879978) is 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide is COc1ccc2c(c1)OCC(CNC(=O)Cc1csc(C(C)=O)c1)C2.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide?
The InChIKey is WKUBAWZABWNMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-12(21)18-6-13(11-25-18)7-19(22)20-9-14-5-15-3-4-16(23-2)8-17(15)24-10-14/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide is sourced from PubChem (CID 72879978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).