2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide

C14H20BrN3O2S — CID 63285065

IUPAC2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide
SMILESCOCCN(CCC(N)=S)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H20BrN3O2S/c1-20-9-8-18(7-6-13(16)21)10-14(19)17-12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyHQPCHIUNWDYRQU-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.01
Rot. Bonds9

About 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide

2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide (PubChem CID 63285065) has the molecular formula C14H20BrN3O2S and a molecular weight of 374.30 g/mol. Its IUPAC name is 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide
PubChem CID63285065
Molecular FormulaC14H20BrN3O2S
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC Name2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide
SMILESCOCCN(CCC(N)=S)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H20BrN3O2S/c1-20-9-8-18(7-6-13(16)21)10-14(19)17-12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyHQPCHIUNWDYRQU-UHFFFAOYSA-N
XLogP2.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
CID 61036321
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 17436271
2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide
CID 31013542
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
CID 120872242
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N-(2-bromophenyl)acetamide
CID 54991682
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 63285116
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
2-[2-methoxyethyl(3-phenylpropyl)amino]-N-(2-methoxyphenyl)acetamide
CID 86860860
3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one
CID 62630046

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide (CID 63285065) is 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide is COCCN(CCC(N)=S)CC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide?
The InChIKey is HQPCHIUNWDYRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S/c1-20-9-8-18(7-6-13(16)21)10-14(19)17-12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H2,16,21)(H,17,19).
What are the key properties of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide?
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide has a molecular weight of 374.30 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 63285065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).