2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide

C15H16N2O3S — CID 115285855

IUPAC2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1ccc2c(c1)OCCCO2)c1cccs1
InChIInChI=1S/C15H16N2O3S/c16-14(13-3-1-8-21-13)15(18)17-10-4-5-11-12(9-10)20-7-2-6-19-11/h1,3-5,8-9,14H,2,6-7,16H2,(H,17,18)
InChIKeyUDNALMQZHNHPEM-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.55
Rot. Bonds3

About 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide

2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide (PubChem CID 115285855) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide
PubChem CID115285855
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1ccc2c(c1)OCCCO2)c1cccs1
InChIInChI=1S/C15H16N2O3S/c16-14(13-3-1-8-21-13)15(18)17-10-4-5-11-12(9-10)20-7-2-6-19-11/h1,3-5,8-9,14H,2,6-7,16H2,(H,17,18)
InChIKeyUDNALMQZHNHPEM-UHFFFAOYSA-N
XLogP2.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43192192
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 111028222
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26712354
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide
CID 61092118
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2-thiophen-2-ylacetamide
CID 94297417
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
4-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbutanamide
CID 80541657
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286345
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55334887
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708945
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-pyrrol-1-ylbutanamide
CID 121239225

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide (CID 115285855) is 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide is NC(C(=O)Nc1ccc2c(c1)OCCCO2)c1cccs1.
What is the InChIKey of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide?
The InChIKey is UDNALMQZHNHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-14(13-3-1-8-21-13)15(18)17-10-4-5-11-12(9-10)20-7-2-6-19-11/h1,3-5,8-9,14H,2,6-7,16H2,(H,17,18).
What are the key properties of 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide?
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115285855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).