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

C11H10BrNOS — CID 26570912

IUPAC2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C11H10BrNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h1,3-6H,7-8H2,(H,13,14)
InChIKeyPKLUKUOFWLKTIF-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.29
Rot. Bonds4

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

2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide (PubChem CID 26570912) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
PubChem CID26570912
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C11H10BrNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h1,3-6H,7-8H2,(H,13,14)
InChIKeyPKLUKUOFWLKTIF-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)sulfanylacetate
CID 8841514
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
2-(3-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 78924791
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760679
2-(4-amino-3-fluorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79141742
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176868
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
CID 106165984
2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858278
2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 82840777

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide (CID 26570912) is 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide is C#CCNC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide?
The InChIKey is PKLUKUOFWLKTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h1,3-6H,7-8H2,(H,13,14).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide?
2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide has a molecular weight of 284.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 26570912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).