trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide

C15H20ClNO2S — CID 124778353

IUPACtrans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCS[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2S/c1-9(14(8-18)20-2)17-15(19)13-7-12(13)10-4-3-5-11(16)6-10/h3-6,9,12-14,18H,7-8H2,1-2H3,(H,17,19)/t9-,12-,13+,14+/m0/s1
InChIKeyUFKRLRSXZWAUIV-OLRMPSLUSA-N
MW313.85 g/mol
LogP2.67
Rot. Bonds6

About trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 124778353) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID124778353
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Nametrans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCS[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2S/c1-9(14(8-18)20-2)17-15(19)13-7-12(13)10-4-3-5-11(16)6-10/h3-6,9,12-14,18H,7-8H2,1-2H3,(H,17,19)/t9-,12-,13+,14+/m0/s1
InChIKeyUFKRLRSXZWAUIV-OLRMPSLUSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 75483757
cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 97340418
trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 97340419
trans-(1R,2R)-2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 97340420
cis-(1S,2R)-2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 97340421
1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
CID 103798904
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798911
2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
CID 109479078
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 109619191
2-(2-chloro-4-fluorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)acetamide
CID 109889070
2-(2-fluorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)propanamide
CID 109889092
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
CID 109889122

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide (CID 124778353) is trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide is CS[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is UFKRLRSXZWAUIV-OLRMPSLUSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-9(14(8-18)20-2)17-15(19)13-7-12(13)10-4-3-5-11(16)6-10/h3-6,9,12-14,18H,7-8H2,1-2H3,(H,17,19)/t9-,12-,13+,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 313.85 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124778353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).