N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

C18H21N3O6S — CID 7829072

IUPACN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESC[C@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O6S/c1-12(13-4-6-15-16(8-13)27-11-26-15)19-17(22)10-21-9-14(5-7-18(21)23)28(24,25)20(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyNPHGMCUNSNHMNC-LBPRGKRZSA-N
MW407.45 g/mol
LogP0.70
Rot. Bonds6

About N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 7829072) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
PubChem CID7829072
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESC[C@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O6S/c1-12(13-4-6-15-16(8-13)27-11-26-15)19-17(22)10-21-9-14(5-7-18(21)23)28(24,25)20(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyNPHGMCUNSNHMNC-LBPRGKRZSA-N
XLogP0.70
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7829073
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633574
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 7828901
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8543601
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]acetamide
CID 41194766
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 98678385
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7828980
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26809065
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688433

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 7829072) is N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is C[C@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is NPHGMCUNSNHMNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-12(13-4-6-15-16(8-13)27-11-26-15)19-17(22)10-21-9-14(5-7-18(21)23)28(24,25)20(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 7829072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).