N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C18H21NO3S — CID 91956505

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1c(C(=O)NC(CO)Cc2ccccc2)sc2c1CCC2
InChIInChI=1S/C18H21NO3S/c1-22-16-14-8-5-9-15(14)23-17(16)18(21)19-13(11-20)10-12-6-3-2-4-7-12/h2-4,6-7,13,20H,5,8-11H2,1H3,(H,19,21)
InChIKeyZJUWGGFYLGCAHY-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.58
Rot. Bonds6

About N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 91956505) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID91956505
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCOc1c(C(=O)NC(CO)Cc2ccccc2)sc2c1CCC2
InChIInChI=1S/C18H21NO3S/c1-22-16-14-8-5-9-15(14)23-17(16)18(21)19-13(11-20)10-12-6-3-2-4-7-12/h2-4,6-7,13,20H,5,8-11H2,1H3,(H,19,21)
InChIKeyZJUWGGFYLGCAHY-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 102673854
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 102673756
4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 20666691
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 91956505) is N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is COc1c(C(=O)NC(CO)Cc2ccccc2)sc2c1CCC2.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is ZJUWGGFYLGCAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-22-16-14-8-5-9-15(14)23-17(16)18(21)19-13(11-20)10-12-6-3-2-4-7-12/h2-4,6-7,13,20H,5,8-11H2,1H3,(H,19,21).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 91956505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).