N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide

C17H23NO4S — CID 99564459

IUPACN-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide
SMILESO=C(C[C@H]1OCCc2ccccc21)NS(=O)(=O)CC1CCCC1
InChIInChI=1S/C17H23NO4S/c19-17(18-23(20,21)12-13-5-1-2-6-13)11-16-15-8-4-3-7-14(15)9-10-22-16/h3-4,7-8,13,16H,1-2,5-6,9-12H2,(H,18,19)/t16-/m1/s1
InChIKeyUYGXRBDNEYNNED-MRXNPFEDSA-N
MW337.44 g/mol
LogP2.33
Rot. Bonds5

About N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide

N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide (PubChem CID 99564459) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide
PubChem CID99564459
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC NameN-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide
SMILESO=C(C[C@H]1OCCc2ccccc21)NS(=O)(=O)CC1CCCC1
InChIInChI=1S/C17H23NO4S/c19-17(18-23(20,21)12-13-5-1-2-6-13)11-16-15-8-4-3-7-14(15)9-10-22-16/h3-4,7-8,13,16H,1-2,5-6,9-12H2,(H,18,19)/t16-/m1/s1
InChIKeyUYGXRBDNEYNNED-MRXNPFEDSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methylpropylsulfonyl)acetamide
CID 99234418
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119621137
1-cyclohexylsulfanyl-3-(3,4-dihydro-1H-isochromen-1-yl)propan-2-one
CID 65139975
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119621136
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99107193
2-cyclopropyl-2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]acetic acid
CID 119213291
2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
CID 119428540
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119408439
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120826800
1-(3-bicyclo[3.1.0]hexanyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114977102
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119524618
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The IUPAC name of N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide (CID 99564459) is N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide.
What is the SMILES notation for N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The canonical SMILES for N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide is O=C(C[C@H]1OCCc2ccccc21)NS(=O)(=O)CC1CCCC1.
What is the InChIKey of N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
The InChIKey is UYGXRBDNEYNNED-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23NO4S/c19-17(18-23(20,21)12-13-5-1-2-6-13)11-16-15-8-4-3-7-14(15)9-10-22-16/h3-4,7-8,13,16H,1-2,5-6,9-12H2,(H,18,19)/t16-/m1/s1.
What are the key properties of N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide?
N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide has a molecular weight of 337.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethylsulfonyl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide is sourced from PubChem (CID 99564459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).