N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide

C16H18N2OS — CID 66387299

IUPACN-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C16H18N2OS/c1-11(19)18-15-7-8-20-16(15)10-17-14-6-5-12-3-2-4-13(12)9-14/h5-9,17H,2-4,10H2,1H3,(H,18,19)
InChIKeyWNJSOEUNNUUTSF-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.81
Rot. Bonds4

About N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66387299) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66387299
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C16H18N2OS/c1-11(19)18-15-7-8-20-16(15)10-17-14-6-5-12-3-2-4-13(12)9-14/h5-9,17H,2-4,10H2,1H3,(H,18,19)
InChIKeyWNJSOEUNNUUTSF-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
CID 66385208
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide
CID 66387714
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 66386931
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864
N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide (CID 66387299) is N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is WNJSOEUNNUUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(19)18-15-7-8-20-16(15)10-17-14-6-5-12-3-2-4-13(12)9-14/h5-9,17H,2-4,10H2,1H3,(H,18,19).
What are the key properties of N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66387299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).