2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide

C17H20N2O3S — CID 75429808

IUPAC2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(N)C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O3S/c1-2-14(18)17(20)19(11-13-4-3-9-23-13)12-5-6-15-16(10-12)22-8-7-21-15/h3-6,9-10,14H,2,7-8,11,18H2,1H3
InChIKeyYQXCVEGFLKIILU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.79
Rot. Bonds5

About 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide

2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 75429808) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID75429808
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(N)C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O3S/c1-2-14(18)17(20)19(11-13-4-3-9-23-13)12-5-6-15-16(10-12)22-8-7-21-15/h3-6,9-10,14H,2,7-8,11,18H2,1H3
InChIKeyYQXCVEGFLKIILU-UHFFFAOYSA-N
XLogP2.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39708928
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 8009424
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 34075315
(3S)-3-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 29492949
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 119688519
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
2-benzylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 27995034
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17430300
trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 98967129
[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 29396533
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 29492969
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 18224661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 75429808) is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide is CCC(N)C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is YQXCVEGFLKIILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-14(18)17(20)19(11-13-4-3-9-23-13)12-5-6-15-16(10-12)22-8-7-21-15/h3-6,9-10,14H,2,7-8,11,18H2,1H3.
What are the key properties of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide?
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 332.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 75429808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).