N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

C22H29N3O4S — CID 100646197

IUPACN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C22H29N3O4S/c1-17-15-18-7-4-5-8-21(18)25(17)14-6-13-23-22(26)16-29-20-11-9-19(10-12-20)24(2)30(3,27)28/h4-5,7-12,17H,6,13-16H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyYHVWZZVCOIMSJV-QGZVFWFLSA-N
MW431.56 g/mol
LogP2.42
Rot. Bonds9

About N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 100646197) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID100646197
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C22H29N3O4S/c1-17-15-18-7-4-5-8-21(18)25(17)14-6-13-23-22(26)16-29-20-11-9-19(10-12-20)24(2)30(3,27)28/h4-5,7-12,17H,6,13-16H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyYHVWZZVCOIMSJV-QGZVFWFLSA-N
XLogP2.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxy-N-methylsulfonylanilino)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]butanamide
CID 133224920
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100750796
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
(2R)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100674924
N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133262206
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
CID 125063653
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133250855
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128323
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 92649125

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 100646197) is N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is C[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is YHVWZZVCOIMSJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17-15-18-7-4-5-8-21(18)25(17)14-6-13-23-22(26)16-29-20-11-9-19(10-12-20)24(2)30(3,27)28/h4-5,7-12,17H,6,13-16H2,1-3H3,(H,23,26)/t17-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 431.56 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 100646197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).