N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide

C20H25N3O3S — CID 55675974

IUPACN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc(CN2CCc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-22(27(2,25)26)15-20(24)21-13-16-7-9-17(10-8-16)14-23-12-11-18-5-3-4-6-19(18)23/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyZBLBOWWWYGCLFF-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.76
Rot. Bonds7

About N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 55675974) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID55675974
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc(CN2CCc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-22(27(2,25)26)15-20(24)21-13-16-7-9-17(10-8-16)14-23-12-11-18-5-3-4-6-19(18)23/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyZBLBOWWWYGCLFF-UHFFFAOYSA-N
XLogP1.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylpropanamide
CID 55965309
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 55678782
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 39046356
tert-butyl N-[4-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]carbamate
CID 52585740
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
CID 52608840
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838221
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52583686
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 39045691
2-chloro-N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46461248

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 55675974) is N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)NCc1ccc(CN2CCc3ccccc32)cc1)S(C)(=O)=O.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is ZBLBOWWWYGCLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(27(2,25)26)15-20(24)21-13-16-7-9-17(10-8-16)14-23-12-11-18-5-3-4-6-19(18)23/h3-10H,11-15H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 55675974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).