[(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate

C24H31N3O7S — CID 118711966

IUPAC[(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COC(=O)Nc2cccc3[nH]ccc23)cc1OC
InChIInChI=1S/C24H31N3O7S/c1-16(2)13-27(35(30,31)18-8-9-22(32-3)23(12-18)33-4)14-17(28)15-34-24(29)26-21-7-5-6-20-19(21)10-11-25-20/h5-12,16-17,25,28H,13-15H2,1-4H3,(H,26,29)/t17-/m1/s1
InChIKeyPOBOGLJZIKLHGQ-QGZVFWFLSA-N
MW505.59 g/mol
LogP3.44
Rot. Bonds11

About [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate

[(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate (PubChem CID 118711966) has the molecular formula C24H31N3O7S and a molecular weight of 505.59 g/mol. Its IUPAC name is [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate.

Molecular Properties

Compound Name[(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate
PubChem CID118711966
Molecular FormulaC24H31N3O7S
Molecular Weight505.59 g/mol
Exact Mass505.19
IUPAC Name[(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COC(=O)Nc2cccc3[nH]ccc23)cc1OC
InChIInChI=1S/C24H31N3O7S/c1-16(2)13-27(35(30,31)18-8-9-22(32-3)23(12-18)33-4)14-17(28)15-34-24(29)26-21-7-5-6-20-19(21)10-11-25-20/h5-12,16-17,25,28H,13-15H2,1-4H3,(H,26,29)/t17-/m1/s1
InChIKeyPOBOGLJZIKLHGQ-QGZVFWFLSA-N
XLogP3.44
TPSA130.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate with MolForge

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Related Compounds

N-[(2S)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl]-1H-indole-5-carboxamide
CID 134815519
2-[(3,4-dimethoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40682573
3,4-dimethoxy-N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788439
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126010855
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
2-[(3-bromo-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62034430
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3575429
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-naphthalen-1-ylacetamide
CID 30259391
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544211
3,4-dimethoxy-N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058785
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 5213116

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate?
The IUPAC name of [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate (CID 118711966) is [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate.
What is the SMILES notation for [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate?
The canonical SMILES for [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate is COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COC(=O)Nc2cccc3[nH]ccc23)cc1OC.
What is the InChIKey of [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate?
The InChIKey is POBOGLJZIKLHGQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H31N3O7S/c1-16(2)13-27(35(30,31)18-8-9-22(32-3)23(12-18)33-4)14-17(28)15-34-24(29)26-21-7-5-6-20-19(21)10-11-25-20/h5-12,16-17,25,28H,13-15H2,1-4H3,(H,26,29)/t17-/m1/s1.
What are the key properties of [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate?
[(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate has a molecular weight of 505.59 g/mol, XLogP of 3.44, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[(3,4-dimethoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxypropyl] N-(1H-indol-4-yl)carbamate is sourced from PubChem (CID 118711966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).