(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

C21H20ClN3O2S — CID 8941350

IUPAC(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESC[C@H](SC1=NCC(=O)N1c1ccccc1Cl)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H20ClN3O2S/c1-13(20(27)24-16-10-9-14-5-4-6-15(14)11-16)28-21-23-12-19(26)25(21)18-8-3-2-7-17(18)22/h2-3,7-11,13H,4-6,12H2,1H3,(H,24,27)/t13-/m0/s1
InChIKeyGVRIRUWBBZIQDH-ZDUSSCGKSA-N
MW413.93 g/mol
LogP4.29
Rot. Bonds4

About (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 8941350) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID8941350
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC Name(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESC[C@H](SC1=NCC(=O)N1c1ccccc1Cl)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H20ClN3O2S/c1-13(20(27)24-16-10-9-14-5-4-6-15(14)11-16)28-21-23-12-19(26)25(21)18-8-3-2-7-17(18)22/h2-3,7-11,13H,4-6,12H2,1H3,(H,24,27)/t13-/m0/s1
InChIKeyGVRIRUWBBZIQDH-ZDUSSCGKSA-N
XLogP4.29
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941150
(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
CID 8941248
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9445071
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941693
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 26726601
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738925
(2R)-N-(3-fluorophenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941554
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 43014609
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
CID 40789859
(2R)-N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941661
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 18085963
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 9291521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 8941350) is (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is C[C@H](SC1=NCC(=O)N1c1ccccc1Cl)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is GVRIRUWBBZIQDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c1-13(20(27)24-16-10-9-14-5-4-6-15(14)11-16)28-21-23-12-19(26)25(21)18-8-3-2-7-17(18)22/h2-3,7-11,13H,4-6,12H2,1H3,(H,24,27)/t13-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 413.93 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 8941350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).