2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide

C17H24N2O5S — CID 167985153

IUPAC2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C17H24N2O5S/c1-3-18(17(20)12-19(14-5-6-14)25(2,21)22)11-13-4-7-15-16(10-13)24-9-8-23-15/h4,7,10,14H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyAXBRUDSXVDOBID-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.23
Rot. Bonds7

About 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide

2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide (PubChem CID 167985153) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
PubChem CID167985153
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C17H24N2O5S/c1-3-18(17(20)12-19(14-5-6-14)25(2,21)22)11-13-4-7-15-16(10-13)24-9-8-23-15/h4,7,10,14H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyAXBRUDSXVDOBID-UHFFFAOYSA-N
XLogP1.23
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
2-[cyclopropyl(methylsulfonyl)amino]-N,N-diethylacetamide
CID 113147914
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113148011
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51110537
2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 39362122
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-N-ethylacetamide
CID 60687458
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylthiophene-2-carboxamide
CID 30480240
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 55372067
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 86978444
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773220

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide?
The IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide (CID 167985153) is 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide.
What is the SMILES notation for 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide?
The canonical SMILES for 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN(C1CC1)S(C)(=O)=O.
What is the InChIKey of 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide?
The InChIKey is AXBRUDSXVDOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-3-18(17(20)12-19(14-5-6-14)25(2,21)22)11-13-4-7-15-16(10-13)24-9-8-23-15/h4,7,10,14H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide?
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide has a molecular weight of 368.46 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide is sourced from PubChem (CID 167985153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).