N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide

C14H11Br2NOS — CID 3605514

IUPACN-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccccc1Br
InChIInChI=1S/C14H11Br2NOS/c15-10-5-7-11(8-6-10)19-9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18)
InChIKeyRHVVDNTVVULDBT-UHFFFAOYSA-N
MW401.12 g/mol
LogP4.94
Rot. Bonds4

About N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide

N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide (PubChem CID 3605514) has the molecular formula C14H11Br2NOS and a molecular weight of 401.12 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide
PubChem CID3605514
Molecular FormulaC14H11Br2NOS
Molecular Weight401.12 g/mol
Exact Mass398.89
IUPAC NameN-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccccc1Br
InChIInChI=1S/C14H11Br2NOS/c15-10-5-7-11(8-6-10)19-9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18)
InChIKeyRHVVDNTVVULDBT-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide (CID 3605514) is N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide is O=C(CSc1ccc(Br)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide?
The InChIKey is RHVVDNTVVULDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NOS/c15-10-5-7-11(8-6-10)19-9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18).
What are the key properties of N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide?
N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide has a molecular weight of 401.12 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-bromophenyl)sulfanylacetamide is sourced from PubChem (CID 3605514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).