N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C22H29N3O3S — CID 133262206

IUPACN-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCC1Cc2ccccc2N1CCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C22H29N3O3S/c1-17-16-19-12-7-8-13-20(19)25(17)15-9-14-23-22(26)21(24(2)29(3,27)28)18-10-5-4-6-11-18/h4-8,10-13,17,21H,9,14-16H2,1-3H3,(H,23,26)
InChIKeyQRWDLJMZLYMWDM-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.58
Rot. Bonds8

About N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133262206) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133262206
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCC1Cc2ccccc2N1CCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C22H29N3O3S/c1-17-16-19-12-7-8-13-20(19)25(17)15-9-14-23-22(26)21(24(2)29(3,27)28)18-10-5-4-6-11-18/h4-8,10-13,17,21H,9,14-16H2,1-3H3,(H,23,26)
InChIKeyQRWDLJMZLYMWDM-UHFFFAOYSA-N
XLogP2.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100674924
N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 125057224
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
CID 125063653
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100646197
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
(2S)-N-[3-(N-methylanilino)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125058040
(2S)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125057669
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360
N,N-dimethyl-4-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylcarbamothioylamino]benzamide
CID 100740727

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133262206) is N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CC1Cc2ccccc2N1CCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is QRWDLJMZLYMWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-16-19-12-7-8-13-20(19)25(17)15-9-14-23-22(26)21(24(2)29(3,27)28)18-10-5-4-6-11-18/h4-8,10-13,17,21H,9,14-16H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 415.56 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133262206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).