2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C23H29N3O3S — CID 36674496

IUPAC2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCc2ccccc21
InChIInChI=1S/C23H29N3O3S/c1-25(22-14-9-18-7-3-4-8-21(18)22)17-23(27)24-19-10-12-20(13-11-19)30(28,29)26-15-5-2-6-16-26/h3-4,7-8,10-13,22H,2,5-6,9,14-17H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyAMOBXVNTPPFQAE-QFIPXVFZSA-N
MW427.57 g/mol
LogP3.42
Rot. Bonds6

About 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 36674496) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID36674496
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCc2ccccc21
InChIInChI=1S/C23H29N3O3S/c1-25(22-14-9-18-7-3-4-8-21(18)22)17-23(27)24-19-10-12-20(13-11-19)30(28,29)26-15-5-2-6-16-26/h3-4,7-8,10-13,22H,2,5-6,9,14-17H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyAMOBXVNTPPFQAE-QFIPXVFZSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55534372
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
N-[4-(diethylsulfamoyl)phenyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260706
4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 36677187
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 134043135
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 37058185
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
CID 9261119
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55533983
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 36674496) is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCc2ccccc21.
What is the InChIKey of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is AMOBXVNTPPFQAE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-25(22-14-9-18-7-3-4-8-21(18)22)17-23(27)24-19-10-12-20(13-11-19)30(28,29)26-15-5-2-6-16-26/h3-4,7-8,10-13,22H,2,5-6,9,14-17H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 427.57 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 36674496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).