(1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide

C24H36N2O6S — CID 159910147

IUPAC(1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESC=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C(=O)C[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C=C
InChIInChI=1S/C24H36N2O6S/c1-4-6-7-8-11-26(3)22(29)20-13-17(27)12-19(20)21(28)15-24(14-16(24)5-2)23(30)25-33(31,32)18-9-10-18/h4-5,16-20,27H,1-2,6-15H2,3H3,(H,25,30)/t16-,17+,19-,20-,24-/m1/s1
InChIKeyRBJMCXVLZPJTRD-YPTMSUPPSA-N
MW480.63 g/mol
LogP1.95
Rot. Bonds13

About (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide

(1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide (PubChem CID 159910147) has the molecular formula C24H36N2O6S and a molecular weight of 480.63 g/mol. Its IUPAC name is (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide
PubChem CID159910147
Molecular FormulaC24H36N2O6S
Molecular Weight480.63 g/mol
Exact Mass480.23
IUPAC Name(1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESC=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C(=O)C[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C=C
InChIInChI=1S/C24H36N2O6S/c1-4-6-7-8-11-26(3)22(29)20-13-17(27)12-19(20)21(28)15-24(14-16(24)5-2)23(30)25-33(31,32)18-9-10-18/h4-5,16-20,27H,1-2,6-15H2,3H3,(H,25,30)/t16-,17+,19-,20-,24-/m1/s1
InChIKeyRBJMCXVLZPJTRD-YPTMSUPPSA-N
XLogP1.95
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4S)-1-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
CID 89069414
trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate
CID 58535000
(1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
CID 88986056
[(1R,3R,4R)-3-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[hex-5-enyl(methyl)carbamoyl]cyclopentyl] carbonochloridate;[(1R,3R,4R)-3-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[hex-5-enyl(methyl)carbamoyl]cyclopentyl] 2,3-dihydroindole-1-carboxylate;(1R,2R,4R)-1-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
CID 158316806
trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-2-[hex-5-enyl(methyl)carbamoyl]-4-(5-phenyltetrazol-2-yl)cyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate
CID 158884462
trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4R)-4-hydroxy-2-non-8-enoylcyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate
CID 58535031
[3-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[hex-5-enyl(methyl)carbamoyl]cyclopentyl] 3,4-dihydro-2H-quinoline-1-carboxylate
CID 68881638
(1R,2R,4S)-1-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide;(1R,4R,6S,7Z,15R,17S)-N-cyclopropylsulfonyl-17-hydroxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide;N-hex-5-enyl-N-methyl-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxamide
CID 160950324
[(1R,3R,4R)-3-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[hex-5-enyl(methyl)carbamoyl]cyclopentyl] N-[2-(4,5-dihydro-1,3-oxazol-2-yl)-5-methylphenyl]carbamate
CID 70318853
N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
CID 141167486
[(1R,3R,4R)-3-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[hex-5-enyl(methyl)carbamoyl]cyclopentyl] N-[5-methyl-2-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)phenyl]carbamate
CID 70318247
[(1R,3R,4R)-3-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[hex-5-enyl(methyl)carbamoyl]cyclopentyl] N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-5-fluorophenyl]carbamate
CID 70314910

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide?
The IUPAC name of (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide (CID 159910147) is (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide is C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C(=O)C[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C=C.
What is the InChIKey of (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide?
The InChIKey is RBJMCXVLZPJTRD-YPTMSUPPSA-N. The full InChI is InChI=1S/C24H36N2O6S/c1-4-6-7-8-11-26(3)22(29)20-13-17(27)12-19(20)21(28)15-24(14-16(24)5-2)23(30)25-33(31,32)18-9-10-18/h4-5,16-20,27H,1-2,6-15H2,3H3,(H,25,30)/t16-,17+,19-,20-,24-/m1/s1.
What are the key properties of (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide?
(1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 1.95, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-[2-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-N-hex-5-enyl-4-hydroxy-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 159910147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).