2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

C34H35N3O5S — CID 100794010

IUPAC2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(Cc4ccccc4)S(=O)(=O)c4c(C)cc(C)cc4C)cc32)cc1
InChIInChI=1S/C34H35N3O5S/c1-23-18-24(2)33(25(3)19-23)43(40,41)36(21-26-8-6-5-7-9-26)22-32(38)35-29-13-10-27-16-17-37(31(27)20-29)34(39)28-11-14-30(42-4)15-12-28/h5-15,18-20H,16-17,21-22H2,1-4H3,(H,35,38)
InChIKeyWQNCLTNFUGUCJX-UHFFFAOYSA-N
MW597.74 g/mol
LogP5.65
Rot. Bonds9

About 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide

2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (PubChem CID 100794010) has the molecular formula C34H35N3O5S and a molecular weight of 597.74 g/mol. Its IUPAC name is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
PubChem CID100794010
Molecular FormulaC34H35N3O5S
Molecular Weight597.74 g/mol
Exact Mass597.23
IUPAC Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(Cc4ccccc4)S(=O)(=O)c4c(C)cc(C)cc4C)cc32)cc1
InChIInChI=1S/C34H35N3O5S/c1-23-18-24(2)33(25(3)19-23)43(40,41)36(21-26-8-6-5-7-9-26)22-32(38)35-29-13-10-27-16-17-37(31(27)20-29)34(39)28-11-14-30(42-4)15-12-28/h5-15,18-20H,16-17,21-22H2,1-4H3,(H,35,38)
InChIKeyWQNCLTNFUGUCJX-UHFFFAOYSA-N
XLogP5.65
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.74
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide with MolForge

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Related Compounds

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100797695
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100793523
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100790515
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100794607
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100795678
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100790090
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
CID 100788776
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 21373137
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43872151
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 126063500
4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide
CID 100785320

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide (CID 100794010) is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide.
What is the SMILES notation for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The canonical SMILES for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is COc1ccc(C(=O)N2CCc3ccc(NC(=O)CN(Cc4ccccc4)S(=O)(=O)c4c(C)cc(C)cc4C)cc32)cc1.
What is the InChIKey of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
The InChIKey is WQNCLTNFUGUCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O5S/c1-23-18-24(2)33(25(3)19-23)43(40,41)36(21-26-8-6-5-7-9-26)22-32(38)35-29-13-10-27-16-17-37(31(27)20-29)34(39)28-11-14-30(42-4)15-12-28/h5-15,18-20H,16-17,21-22H2,1-4H3,(H,35,38).
What are the key properties of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide?
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide has a molecular weight of 597.74 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide is sourced from PubChem (CID 100794010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).