N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide

C19H23NO3S — CID 97436579

IUPACN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)CCCc1cccs1)C2
InChIInChI=1S/C19H23NO3S/c1-22-16-8-7-15-10-14(13-23-18(15)11-16)12-20-19(21)6-2-4-17-5-3-9-24-17/h3,5,7-9,11,14H,2,4,6,10,12-13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyPRFCSBMRWHZOOI-CQSZACIVSA-N
MW345.46 g/mol
LogP3.45
Rot. Bonds7

About N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 97436579) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID97436579
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)CCCc1cccs1)C2
InChIInChI=1S/C19H23NO3S/c1-22-16-8-7-15-10-14(13-23-18(15)11-16)12-20-19(21)6-2-4-17-5-3-9-24-17/h3,5,7-9,11,14H,2,4,6,10,12-13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyPRFCSBMRWHZOOI-CQSZACIVSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide with MolForge

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Related Compounds

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
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
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 97268936
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 72907497
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 97282710
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
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]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide (CID 97436579) is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide is COc1ccc2c(c1)OC[C@@H](CNC(=O)CCCc1cccs1)C2.
What is the InChIKey of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is PRFCSBMRWHZOOI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-22-16-8-7-15-10-14(13-23-18(15)11-16)12-20-19(21)6-2-4-17-5-3-9-24-17/h3,5,7-9,11,14H,2,4,6,10,12-13H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide?
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 345.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 97436579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).