N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide

C14H20N2O4S — CID 91626518

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCC1Cc2ccccc2CO1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-16(21(2,18)19)9-14(17)15-8-13-7-11-5-3-4-6-12(11)10-20-13/h3-6,13H,7-10H2,1-2H3,(H,15,17)
InChIKeyIQVUOPWTTMYTTG-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.14
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 91626518) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID91626518
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCC1Cc2ccccc2CO1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-16(21(2,18)19)9-14(17)15-8-13-7-11-5-3-4-6-12(11)10-20-13/h3-6,13H,7-10H2,1-2H3,(H,15,17)
InChIKeyIQVUOPWTTMYTTG-UHFFFAOYSA-N
XLogP0.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4051780
(2S)-2-(methanesulfonamido)-N-octadecyl-3-phenylmethoxypropanamide
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N-(3-methoxypropyl)-2-(2-phenylmorpholin-4-yl)acetamide
CID 51080680
N-[1-(2-phenylmethoxyacetyl)piperidin-3-yl]methanesulfonamide
CID 53501541
N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
CID 84599857
N-methyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
CID 84599861
N'-benzyl-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)oxamide
CID 3146897
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(2-phenylethyl)ethanediamide
CID 3146898
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide
CID 2836272
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2900873
N'-butyl-N-(isochromanylmethyl)ethane-1,2-diamide
CID 2902816
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
CID 5197549

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide (CID 91626518) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)NCC1Cc2ccccc2CO1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is IQVUOPWTTMYTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(21(2,18)19)9-14(17)15-8-13-7-11-5-3-4-6-12(11)10-20-13/h3-6,13H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 91626518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).