(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

C17H19N3O3S — CID 71465770

IUPAC(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESCC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1
InChIInChI=1S/C17H19N3O3S/c1-11(21)20-8-12(9-20)10-23-17(22)19-15-7-13(4-5-14(15)18)16-3-2-6-24-16/h2-7,12H,8-10,18H2,1H3,(H,19,22)
InChIKeyUVSLXKGEVLRCPQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.02
Rot. Bonds4

About (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 71465770) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Name(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID71465770
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESCC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1
InChIInChI=1S/C17H19N3O3S/c1-11(21)20-8-12(9-20)10-23-17(22)19-15-7-13(4-5-14(15)18)16-3-2-6-24-16/h2-7,12H,8-10,18H2,1H3,(H,19,22)
InChIKeyUVSLXKGEVLRCPQ-UHFFFAOYSA-N
XLogP3.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[(2-methyl-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate
CID 123733676
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
CID 89158009
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
CID 71465922
(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid
CID 161463828
cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 175831101
pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 89183253
1-(2-amino-5-thiophen-2-ylphenyl)-3-pyrrolidin-3-ylurea
CID 89157853
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017
(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
CID 59737518
N-(2-amino-5-thiophen-2-ylphenyl)-2-oxaspiro[3.3]heptane-6-carboxamide
CID 89183122
2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide
CID 71007326
4-[(3-acetamidopyrrolidin-1-yl)methyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 69100695

Frequently Asked Questions

What is the IUPAC name of (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 71465770) is (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is CC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1.
What is the InChIKey of (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is UVSLXKGEVLRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(21)20-8-12(9-20)10-23-17(22)19-15-7-13(4-5-14(15)18)16-3-2-6-24-16/h2-7,12H,8-10,18H2,1H3,(H,19,22).
What are the key properties of (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 345.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 71465770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).