N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide

C15H13BrN2O2S — CID 7670731

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
SMILESNC(=O)CSc1ccccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2S/c16-11-5-3-4-10(8-11)15(20)18-12-6-1-2-7-13(12)21-9-14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20)
InChIKeyPXHKEWMBIUQWEN-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide (PubChem CID 7670731) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
PubChem CID7670731
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
SMILESNC(=O)CSc1ccccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2S/c16-11-5-3-4-10(8-11)15(20)18-12-6-1-2-7-13(12)21-9-14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20)
InChIKeyPXHKEWMBIUQWEN-UHFFFAOYSA-N
XLogP3.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-cyanobenzamide
CID 8009499
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
CID 78810118
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068095
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1,3-benzodioxole-5-carboxamide
CID 46636704
3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997045
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
CID 17449163
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 37345198

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide (CID 7670731) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide is NC(=O)CSc1ccccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide?
The InChIKey is PXHKEWMBIUQWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-11-5-3-4-10(8-11)15(20)18-12-6-1-2-7-13(12)21-9-14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide has a molecular weight of 365.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide is sourced from PubChem (CID 7670731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).