3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide

C17H23NO4S — CID 94466747

IUPAC3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C17H23NO4S/c19-17(9-10-23(20,21)15-6-2-3-7-15)18-14-11-13-5-1-4-8-16(13)22-12-14/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H,18,19)/t14-/m0/s1
InChIKeyIPVSAPBWODRZMR-AWEZNQCLSA-N
MW337.44 g/mol
LogP1.85
Rot. Bonds5

About 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide

3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide (PubChem CID 94466747) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide
PubChem CID94466747
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C17H23NO4S/c19-17(9-10-23(20,21)15-6-2-3-7-15)18-14-11-13-5-1-4-8-16(13)22-12-14/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H,18,19)/t14-/m0/s1
InChIKeyIPVSAPBWODRZMR-AWEZNQCLSA-N
XLogP1.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]propanamide
CID 124787465
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
CID 129368199
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119734025
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide
CID 87017830
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630644
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 129366981
N-(3,4-dihydro-2H-chromen-3-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 78901044
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
trans-(1R,2R)-2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131901

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide (CID 94466747) is 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide is O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1COc2ccccc2C1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide?
The InChIKey is IPVSAPBWODRZMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO4S/c19-17(9-10-23(20,21)15-6-2-3-7-15)18-14-11-13-5-1-4-8-16(13)22-12-14/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H,18,19)/t14-/m0/s1.
What are the key properties of 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide?
3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide has a molecular weight of 337.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide is sourced from PubChem (CID 94466747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).