N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide

C27H30N2O6S — CID 100765795

IUPACN-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H30N2O6S/c1-18-6-9-22(10-7-18)36(31,32)29-13-12-20-16-21(8-11-23(20)29)27(30)28(2)17-19-14-24(33-3)26(35-5)25(15-19)34-4/h6-11,14-16H,12-13,17H2,1-5H3
InChIKeyBVHYFWVOCZCKDE-UHFFFAOYSA-N
MW510.61 g/mol
LogP4.04
Rot. Bonds8

About N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide

N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 100765795) has the molecular formula C27H30N2O6S and a molecular weight of 510.61 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID100765795
Molecular FormulaC27H30N2O6S
Molecular Weight510.61 g/mol
Exact Mass510.18
IUPAC NameN-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H30N2O6S/c1-18-6-9-22(10-7-18)36(31,32)29-13-12-20-16-21(8-11-23(20)29)27(30)28(2)17-19-14-24(33-3)26(35-5)25(15-19)34-4/h6-11,14-16H,12-13,17H2,1-5H3
InChIKeyBVHYFWVOCZCKDE-UHFFFAOYSA-N
XLogP4.04
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.61
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916684
N-[(4-cyanophenyl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 39859947
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 2556240
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
1-(4-chlorophenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765259
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31151601
2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
CID 14916960
3,4-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16825758

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide (CID 100765795) is N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide is COc1cc(CN(C)C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is BVHYFWVOCZCKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6S/c1-18-6-9-22(10-7-18)36(31,32)29-13-12-20-16-21(8-11-23(20)29)27(30)28(2)17-19-14-24(33-3)26(35-5)25(15-19)34-4/h6-11,14-16H,12-13,17H2,1-5H3.
What are the key properties of N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 510.61 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)sulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100765795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).