N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C16H23NO2S — CID 71787472

IUPACN-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCC(O)C1CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H23NO2S/c18-13(12-5-6-12)7-10-17-15(19)16(8-1-2-9-16)14-4-3-11-20-14/h3-4,11-13,18H,1-2,5-10H2,(H,17,19)
InChIKeyXKJJKFZYBBWOIF-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.84
Rot. Bonds6

About N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71787472) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71787472
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCCC(O)C1CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H23NO2S/c18-13(12-5-6-12)7-10-17-15(19)16(8-1-2-9-16)14-4-3-11-20-14/h3-4,11-13,18H,1-2,5-10H2,(H,17,19)
InChIKeyXKJJKFZYBBWOIF-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71787472) is N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCCC(O)C1CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is XKJJKFZYBBWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-13(12-5-6-12)7-10-17-15(19)16(8-1-2-9-16)14-4-3-11-20-14/h3-4,11-13,18H,1-2,5-10H2,(H,17,19).
What are the key properties of N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 293.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-3-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71787472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).