[(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate

C23H29N3O6S — CID 118711968

IUPAC[(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COC(=O)Nc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C23H29N3O6S/c1-16(2)13-26(33(29,30)21-7-5-20(31-3)6-8-21)14-19(27)15-32-23(28)25-18-4-9-22-17(12-18)10-11-24-22/h4-12,16,19,24,27H,13-15H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyKJHBNTSRMRLRIS-LJQANCHMSA-N
MW475.57 g/mol
LogP3.43
Rot. Bonds10

About [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate

[(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate (PubChem CID 118711968) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate
PubChem CID118711968
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name[(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COC(=O)Nc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C23H29N3O6S/c1-16(2)13-26(33(29,30)21-7-5-20(31-3)6-8-21)14-19(27)15-32-23(28)25-18-4-9-22-17(12-18)10-11-24-22/h4-12,16,19,24,27H,13-15H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyKJHBNTSRMRLRIS-LJQANCHMSA-N
XLogP3.43
TPSA120.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate with MolForge

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Related Compounds

[(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate
CID 118711966
[(2R)-2-hydroxy-3-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]propyl] N-(1H-indol-4-yl)carbamate
CID 118711965
N-[(2S)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl]-1H-indole-5-carboxamide
CID 134815519
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
[(2R)-oxiran-2-yl]methyl N-(1H-indol-5-yl)carbamate
CID 57343440
ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate
CID 17311755
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119
benzyl N-[3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 23385577
[(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid
CID 142824566
(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
CID 119278221

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate?
The IUPAC name of [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate (CID 118711968) is [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate.
What is the SMILES notation for [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate?
The canonical SMILES for [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate is COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COC(=O)Nc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate?
The InChIKey is KJHBNTSRMRLRIS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-16(2)13-26(33(29,30)21-7-5-20(31-3)6-8-21)14-19(27)15-32-23(28)25-18-4-9-22-17(12-18)10-11-24-22/h4-12,16,19,24,27H,13-15H2,1-3H3,(H,25,28)/t19-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate?
[(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate has a molecular weight of 475.57 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl] N-(1H-indol-5-yl)carbamate is sourced from PubChem (CID 118711968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).