N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide

C15H13BrClNOS — CID 55595422

IUPACN-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C15H13BrClNOS/c16-12-3-1-2-11(8-12)9-18-15(19)10-20-14-6-4-13(17)5-7-14/h1-8H,9-10H2,(H,18,19)
InChIKeyPNUPLTKXDIRDIA-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.51
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 55595422) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID55595422
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC NameN-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C15H13BrClNOS/c16-12-3-1-2-11(8-12)9-18-15(19)10-20-14-6-4-13(17)5-7-14/h1-8H,9-10H2,(H,18,19)
InChIKeyPNUPLTKXDIRDIA-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 50874874
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
1-bromo-3-[(4-chlorophenyl)sulfanylmethyl]benzene
CID 60625566
3-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid
CID 60894962
3-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100765319
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
(2S)-2-[(3-bromophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-butylpropanamide
CID 100565407
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 55595422) is N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is PNUPLTKXDIRDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c16-12-3-1-2-11(8-12)9-18-15(19)10-20-14-6-4-13(17)5-7-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 370.70 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 55595422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).