N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

C29H25N3O3S — CID 68926906

IUPACN-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
SMILESN#Cc1ccc2c(c1)CCC2NC(=O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C29H25N3O3S/c30-19-20-10-14-26-24(16-20)12-15-27(26)31-29(33)18-28(22-7-2-1-3-8-22)32-36(34,35)25-13-11-21-6-4-5-9-23(21)17-25/h1-11,13-14,16-17,27-28,32H,12,15,18H2,(H,31,33)
InChIKeyIUYIUWRGFCHMDA-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.92
Rot. Bonds7

About N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide (PubChem CID 68926906) has the molecular formula C29H25N3O3S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
PubChem CID68926906
Molecular FormulaC29H25N3O3S
Molecular Weight495.60 g/mol
Exact Mass495.16
IUPAC NameN-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
SMILESN#Cc1ccc2c(c1)CCC2NC(=O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C29H25N3O3S/c30-19-20-10-14-26-24(16-20)12-15-27(26)31-29(33)18-28(22-7-2-1-3-8-22)32-36(34,35)25-13-11-21-6-4-5-9-23(21)17-25/h1-11,13-14,16-17,27-28,32H,12,15,18H2,(H,31,33)
InChIKeyIUYIUWRGFCHMDA-UHFFFAOYSA-N
XLogP4.92
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(aminomethyl)-2,3-dihydro-1H-inden-1-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 68928983
N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 68929027
3-(naphthalen-2-ylsulfonylamino)-3-(3-phenoxyphenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68928838
4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide
CID 73032171
3-(3-fluorophenyl)-3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68927003
N-[7-[(dimethylamino)methyl]-1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 68929010
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide
CID 68932666
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
(3R)-N-[6-(3-aminopropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 59792168
(3R)-N-[(1R)-6-[(cyclopropylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 59792193
N-[6-(2,5-dihydropyrrol-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 68932209

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The IUPAC name of N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide (CID 68926906) is N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide.
What is the SMILES notation for N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The canonical SMILES for N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide is N#Cc1ccc2c(c1)CCC2NC(=O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The InChIKey is IUYIUWRGFCHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3S/c30-19-20-10-14-26-24(16-20)12-15-27(26)31-29(33)18-28(22-7-2-1-3-8-22)32-36(34,35)25-13-11-21-6-4-5-9-23(21)17-25/h1-11,13-14,16-17,27-28,32H,12,15,18H2,(H,31,33).
What are the key properties of N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide has a molecular weight of 495.60 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide is sourced from PubChem (CID 68926906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).