N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide

C30H26Br2N2O3S — CID 58065850

IUPACN-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide
SMILESO=C(COc1ccc(SCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1)NCc1ccccc1
InChIInChI=1S/C30H26Br2N2O3S/c31-21-6-12-28-26(14-21)27-15-22(32)7-13-29(27)34(28)17-23(35)19-38-25-10-8-24(9-11-25)37-18-30(36)33-16-20-4-2-1-3-5-20/h1-15,23,35H,16-19H2,(H,33,36)
InChIKeyBYPJPPHHBNQMCX-UHFFFAOYSA-N
MW654.42 g/mol
LogP7.17
Rot. Bonds10

About N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide

N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide (PubChem CID 58065850) has the molecular formula C30H26Br2N2O3S and a molecular weight of 654.42 g/mol. Its IUPAC name is N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide
PubChem CID58065850
Molecular FormulaC30H26Br2N2O3S
Molecular Weight654.42 g/mol
Exact Mass652.00
IUPAC NameN-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide
SMILESO=C(COc1ccc(SCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1)NCc1ccccc1
InChIInChI=1S/C30H26Br2N2O3S/c31-21-6-12-28-26(14-21)27-15-22(32)7-13-29(27)34(28)17-23(35)19-38-25-10-8-24(9-11-25)37-18-30(36)33-16-20-4-2-1-3-5-20/h1-15,23,35H,16-19H2,(H,33,36)
InChIKeyBYPJPPHHBNQMCX-UHFFFAOYSA-N
XLogP7.17
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.42
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 7903282
N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786702
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-(2-amino-4-bromophenoxy)-N-benzylacetamide
CID 65429040
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide (CID 58065850) is N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide is O=C(COc1ccc(SCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide?
The InChIKey is BYPJPPHHBNQMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Br2N2O3S/c31-21-6-12-28-26(14-21)27-15-22(32)7-13-29(27)34(28)17-23(35)19-38-25-10-8-24(9-11-25)37-18-30(36)33-16-20-4-2-1-3-5-20/h1-15,23,35H,16-19H2,(H,33,36).
What are the key properties of N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide?
N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide has a molecular weight of 654.42 g/mol, XLogP of 7.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]sulfanylphenoxy]acetamide is sourced from PubChem (CID 58065850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).