N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide

C17H16BrClN2O2S — CID 55951705

IUPACN-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide
SMILESO=C(CSc1ccc(Cl)cc1)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClN2O2S/c18-12-1-5-14(6-2-12)21-16(22)9-10-20-17(23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyZKSIPGBFVHLBKQ-UHFFFAOYSA-N
MW427.75 g/mol
LogP4.34
Rot. Bonds7

About N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide

N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide (PubChem CID 55951705) has the molecular formula C17H16BrClN2O2S and a molecular weight of 427.75 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide
PubChem CID55951705
Molecular FormulaC17H16BrClN2O2S
Molecular Weight427.75 g/mol
Exact Mass425.98
IUPAC NameN-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide
SMILESO=C(CSc1ccc(Cl)cc1)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClN2O2S/c18-12-1-5-14(6-2-12)21-16(22)9-10-20-17(23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyZKSIPGBFVHLBKQ-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.75
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
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N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
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N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
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4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide (CID 55951705) is N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide is O=C(CSc1ccc(Cl)cc1)NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide?
The InChIKey is ZKSIPGBFVHLBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2S/c18-12-1-5-14(6-2-12)21-16(22)9-10-20-17(23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2,(H,20,23)(H,21,22).
What are the key properties of N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide?
N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide has a molecular weight of 427.75 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide is sourced from PubChem (CID 55951705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).