N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide

C10H10Br2N2OS — CID 107938956

IUPACN-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
SMILESCN(CC(N)=S)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2N2OS/c1-14(5-9(13)16)10(15)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H2,13,16)
InChIKeyCVFBEQSYCDLBPO-UHFFFAOYSA-N
MW366.08 g/mol
LogP2.57
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide

N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide (PubChem CID 107938956) has the molecular formula C10H10Br2N2OS and a molecular weight of 366.08 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
PubChem CID107938956
Molecular FormulaC10H10Br2N2OS
Molecular Weight366.08 g/mol
Exact Mass363.89
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
SMILESCN(CC(N)=S)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2N2OS/c1-14(5-9(13)16)10(15)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H2,13,16)
InChIKeyCVFBEQSYCDLBPO-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dibromo-N-methylbenzamide
CID 114018352
2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide
CID 103882161
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-2-chloro-N-methylbenzamide
CID 43805487
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
CID 107951195
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dibromo-N-methylbenzamide
CID 107940566
2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid
CID 82547324
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide (CID 107938956) is N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide is CN(CC(N)=S)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide?
The InChIKey is CVFBEQSYCDLBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2OS/c1-14(5-9(13)16)10(15)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H2,13,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide?
N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide has a molecular weight of 366.08 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide is sourced from PubChem (CID 107938956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).