[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate

C30H26ClN3O5S — CID 2569123

IUPAC[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc21
InChIInChI=1S/C30H26ClN3O5S/c1-3-34-27-10-5-4-9-25(27)26-18-23(15-16-28(26)34)32-29(35)19(2)39-30(36)20-7-6-8-24(17-20)40(37,38)33-22-13-11-21(31)12-14-22/h4-19,33H,3H2,1-2H3,(H,32,35)/t19-/m0/s1
InChIKeyJYEZOQTWRCQLTG-IBGZPJMESA-N
MW576.07 g/mol
LogP6.45
Rot. Bonds8

About [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate

[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate (PubChem CID 2569123) has the molecular formula C30H26ClN3O5S and a molecular weight of 576.07 g/mol. Its IUPAC name is [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
PubChem CID2569123
Molecular FormulaC30H26ClN3O5S
Molecular Weight576.07 g/mol
Exact Mass575.13
IUPAC Name[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc21
InChIInChI=1S/C30H26ClN3O5S/c1-3-34-27-10-5-4-9-25(27)26-18-23(15-16-28(26)34)32-29(35)19(2)39-30(36)20-7-6-8-24(17-20)40(37,38)33-22-13-11-21(31)12-14-22/h4-19,33H,3H2,1-2H3,(H,32,35)/t19-/m0/s1
InChIKeyJYEZOQTWRCQLTG-IBGZPJMESA-N
XLogP6.45
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.07
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 8644524
propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43056299
[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 23999771
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 43014117
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 7274835
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 2452104
[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 41153030
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 42997588
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 24587991
[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] (E)-but-2-enoate
CID 7981141
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 2605666
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7274848

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate (CID 2569123) is [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate is CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc21.
What is the InChIKey of [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is JYEZOQTWRCQLTG-IBGZPJMESA-N. The full InChI is InChI=1S/C30H26ClN3O5S/c1-3-34-27-10-5-4-9-25(27)26-18-23(15-16-28(26)34)32-29(35)19(2)39-30(36)20-7-6-8-24(17-20)40(37,38)33-22-13-11-21(31)12-14-22/h4-19,33H,3H2,1-2H3,(H,32,35)/t19-/m0/s1.
What are the key properties of [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate?
[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 576.07 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2569123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).