N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide

C17H18N2OS — CID 64648963

IUPACN-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2Cc3ccccc3C2N)cc1
InChIInChI=1S/C17H18N2OS/c1-11(20)19-13-6-8-14(9-7-13)21-16-10-12-4-2-3-5-15(12)17(16)18/h2-9,16-17H,10,18H2,1H3,(H,19,20)
InChIKeyVWUUBBNTIPJEEY-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.36
Rot. Bonds3

About N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide

N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide (PubChem CID 64648963) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
PubChem CID64648963
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2Cc3ccccc3C2N)cc1
InChIInChI=1S/C17H18N2OS/c1-11(20)19-13-6-8-14(9-7-13)21-16-10-12-4-2-3-5-15(12)17(16)18/h2-9,16-17H,10,18H2,1H3,(H,19,20)
InChIKeyVWUUBBNTIPJEEY-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
CID 64648961
2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64628290
N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
CID 60713577
N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide
CID 64649552
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 115479385
2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
N-[4-[[(6R)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl]sulfanyl]phenyl]acetamide
CID 95187812
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 64612132
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol
CID 66135764

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide (CID 64648963) is N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SC2Cc3ccccc3C2N)cc1.
What is the InChIKey of N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide?
The InChIKey is VWUUBBNTIPJEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11(20)19-13-6-8-14(9-7-13)21-16-10-12-4-2-3-5-15(12)17(16)18/h2-9,16-17H,10,18H2,1H3,(H,19,20).
What are the key properties of N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide?
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide has a molecular weight of 298.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 64648963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).