N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide

C16H18N2OS — CID 163425721

IUPACN-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1sc2c(c1N)CCC2)c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-10(11-6-3-2-4-7-11)15(19)18-16-14(17)12-8-5-9-13(12)20-16/h2-4,6-7,10H,5,8-9,17H2,1H3,(H,18,19)
InChIKeyAMIMJIHQGFFFCM-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.56
Rot. Bonds3

About N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide

N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide (PubChem CID 163425721) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide
PubChem CID163425721
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1sc2c(c1N)CCC2)c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-10(11-6-3-2-4-7-11)15(19)18-16-14(17)12-8-5-9-13(12)20-16/h2-4,6-7,10H,5,8-9,17H2,1H3,(H,18,19)
InChIKeyAMIMJIHQGFFFCM-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248778
2-[[(2S)-2-[[(1S)-1-phenylethyl]amino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9248777
N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide
CID 70985461
N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide
CID 67487807
(2S)-2-amino-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
CID 119334898
[(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl]-dimethylazanium
CID 7859136
methyl 2-[[(2S)-2-morpholin-4-ium-4-yl-2-phenylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7274397
ethyl 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4101898
ethyl 2-(2-phenoxypropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2945916
2-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9131977
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide
CID 71300013
N-(5,6-dihydro-4H-cyclopenta[c][1,2]thiazol-3-yl)-2,2-diphenylacetamide
CID 54774480

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide?
The IUPAC name of N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide (CID 163425721) is N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide.
What is the SMILES notation for N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide?
The canonical SMILES for N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide is CC(C(=O)Nc1sc2c(c1N)CCC2)c1ccccc1.
What is the InChIKey of N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide?
The InChIKey is AMIMJIHQGFFFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10(11-6-3-2-4-7-11)15(19)18-16-14(17)12-8-5-9-13(12)20-16/h2-4,6-7,10H,5,8-9,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide?
N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 163425721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).