2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide

C11H11BrN2OS — CID 82840777

IUPAC2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSc1ccc(N)cc1Br
InChIInChI=1S/C11H11BrN2OS/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h1,3-4,6H,5,7,13H2,(H,14,15)
InChIKeyIDZKQGDIMNIIAK-UHFFFAOYSA-N
MW299.19 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide

2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide (PubChem CID 82840777) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
PubChem CID82840777
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSc1ccc(N)cc1Br
InChIInChI=1S/C11H11BrN2OS/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h1,3-4,6H,5,7,13H2,(H,14,15)
InChIKeyIDZKQGDIMNIIAK-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 82840597
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 82841648
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82841898
2-(2-amino-5-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79527889
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 82841973
2-(4-amino-2-bromophenyl)sulfanyl-N-heptan-2-ylacetamide
CID 82840579
2-(4-amino-2-bromophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 82838713
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 82838734
2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26570912
2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 82838705
2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide
CID 82841917

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide (CID 82840777) is 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide is C#CCNC(=O)CSc1ccc(N)cc1Br.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide?
The InChIKey is IDZKQGDIMNIIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h1,3-4,6H,5,7,13H2,(H,14,15).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide?
2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide has a molecular weight of 299.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 82840777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).