N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide

C29H27N3O4S — CID 71945776

IUPACN-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C29H27N3O4S/c1-21(33)30-22-15-17-25(18-16-22)37(35,36)32(23-9-3-2-4-10-23)20-24(34)19-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,34H,19-20H2,1H3,(H,30,33)
InChIKeyLQEHPCIKBCAVBG-UHFFFAOYSA-N
MW513.62 g/mol
LogP5.01
Rot. Bonds8

About N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide

N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide (PubChem CID 71945776) has the molecular formula C29H27N3O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
PubChem CID71945776
Molecular FormulaC29H27N3O4S
Molecular Weight513.62 g/mol
Exact Mass513.17
IUPAC NameN-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C29H27N3O4S/c1-21(33)30-22-15-17-25(18-16-22)37(35,36)32(23-9-3-2-4-10-23)20-24(34)19-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,34H,19-20H2,1H3,(H,30,33)
InChIKeyLQEHPCIKBCAVBG-UHFFFAOYSA-N
XLogP5.01
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[4-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 3125892
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 40774094
N-tert-butyl-4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]benzamide
CID 44883503
N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 71945543
3-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 15991298
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 2136151
3-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid
CID 41476223
2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
CID 50889182
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
CID 3515324
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-[3-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 98468019

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide (CID 71945776) is N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(O)Cn2c3ccccc3c3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide?
The InChIKey is LQEHPCIKBCAVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4S/c1-21(33)30-22-15-17-25(18-16-22)37(35,36)32(23-9-3-2-4-10-23)20-24(34)19-31-28-13-7-5-11-26(28)27-12-6-8-14-29(27)31/h2-18,24,34H,19-20H2,1H3,(H,30,33).
What are the key properties of N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide?
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide has a molecular weight of 513.62 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-phenylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 71945776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).