N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C19H23NO2S2 — CID 95982751

IUPACN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@@](O)(c1cccs1)C1CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H23NO2S2/c21-17(18(9-1-2-10-18)15-5-3-11-23-15)20-13-19(22,14-7-8-14)16-6-4-12-24-16/h3-6,11-12,14,22H,1-2,7-10,13H2,(H,20,21)/t19-/m0/s1
InChIKeyOTMZHVNOTCHCOT-IBGZPJMESA-N
MW361.53 g/mol
LogP4.04
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 95982751) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID95982751
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@@](O)(c1cccs1)C1CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H23NO2S2/c21-17(18(9-1-2-10-18)15-5-3-11-23-15)20-13-19(22,14-7-8-14)16-6-4-12-24-16/h3-6,11-12,14,22H,1-2,7-10,13H2,(H,20,21)/t19-/m0/s1
InChIKeyOTMZHVNOTCHCOT-IBGZPJMESA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 95982751) is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NC[C@@](O)(c1cccs1)C1CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is OTMZHVNOTCHCOT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23NO2S2/c21-17(18(9-1-2-10-18)15-5-3-11-23-15)20-13-19(22,14-7-8-14)16-6-4-12-24-16/h3-6,11-12,14,22H,1-2,7-10,13H2,(H,20,21)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 95982751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).