N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide

C17H16ClNOS — CID 114302120

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1c2ccccc2CC1Cl
InChIInChI=1S/C17H16ClNOS/c18-15-10-12-6-4-5-9-14(12)17(15)19-16(20)11-21-13-7-2-1-3-8-13/h1-9,15,17H,10-11H2,(H,19,20)
InChIKeyNWEHVPFRKFBXPO-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.80
Rot. Bonds4

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide (PubChem CID 114302120) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide
PubChem CID114302120
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC1c2ccccc2CC1Cl
InChIInChI=1S/C17H16ClNOS/c18-15-10-12-6-4-5-9-14(12)17(15)19-16(20)11-21-13-7-2-1-3-8-13/h1-9,15,17H,10-11H2,(H,19,20)
InChIKeyNWEHVPFRKFBXPO-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
CID 114302053
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 114302171
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide (CID 114302120) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC1c2ccccc2CC1Cl.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide?
The InChIKey is NWEHVPFRKFBXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-15-10-12-6-4-5-9-14(12)17(15)19-16(20)11-21-13-7-2-1-3-8-13/h1-9,15,17H,10-11H2,(H,19,20).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide has a molecular weight of 317.84 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 114302120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).