N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide

C17H21N3OS — CID 8005893

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H21N3OS/c1-2-9-20-10-8-18-17(20)22-12-16(21)19-15-7-6-13-4-3-5-14(13)11-15/h6-8,10-11H,2-5,9,12H2,1H3,(H,19,21)
InChIKeyMKYMPSMAJXUJNX-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.51
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide (PubChem CID 8005893) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
PubChem CID8005893
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H21N3OS/c1-2-9-20-10-8-18-17(20)22-12-16(21)19-15-7-6-13-4-3-5-14(13)11-15/h6-8,10-11H,2-5,9,12H2,1H3,(H,19,21)
InChIKeyMKYMPSMAJXUJNX-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-(3-chloro-4-cyanophenyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 25372320
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 60733140
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8724023
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 24597191
2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7466905
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 18085661
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46643291

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide (CID 8005893) is N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide is CCCn1ccnc1SCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The InChIKey is MKYMPSMAJXUJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-9-20-10-8-18-17(20)22-12-16(21)19-15-7-6-13-4-3-5-14(13)11-15/h6-8,10-11H,2-5,9,12H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 8005893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).