cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide

C19H24N4O4S — CID 171504776

IUPACcis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCN(O)C(=O)[C@@]1(Cc2cccc(-c3ncccn3)c2)CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C19H24N4O4S/c1-23(25)18(24)19(8-7-16(13-19)22-28(2,26)27)12-14-5-3-6-15(11-14)17-20-9-4-10-21-17/h3-6,9-11,16,22,25H,7-8,12-13H2,1-2H3/t16-,19+/m0/s1
InChIKeySTPHGTHXIFQPLX-QFBILLFUSA-N
MW404.49 g/mol
LogP1.62
Rot. Bonds6

About cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide

cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 171504776) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID171504776
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Namecis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCN(O)C(=O)[C@@]1(Cc2cccc(-c3ncccn3)c2)CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C19H24N4O4S/c1-23(25)18(24)19(8-7-16(13-19)22-28(2,26)27)12-14-5-3-6-15(11-14)17-20-9-4-10-21-17/h3-6,9-11,16,22,25H,7-8,12-13H2,1-2H3/t16-,19+/m0/s1
InChIKeySTPHGTHXIFQPLX-QFBILLFUSA-N
XLogP1.62
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(methanesulfonamido)-N-methoxy-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171504775
cis-(1R,3S)-3-(methanesulfonamido)-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 171504737
cis-(1R,3S)-1-[[3-(5-chloropyrimidin-2-yl)phenyl]methyl]-3-(methanesulfonamido)-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 171504797
N-[(1S,3R)-3-(1-ethylimidazol-2-yl)-3-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentyl]methanesulfonamide
CID 177365234
cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 171504734
cis-(1R,3S)-1-[[4-chloro-3-(5-fluoropyrimidin-2-yl)phenyl]methyl]-3-(methanesulfonamido)-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 171504710
N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide
CID 171504874
cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
CID 172613315
sodium cis-(1R,3S)-1-[[4-fluoro-3-(3-fluoro-2-phenylmethoxyphenyl)phenyl]methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 172613283
(2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid
CID 177365220
tert-butyl 3-[2-[3-[[(1R,3S)-1-amino-3-(methanesulfonamido)cyclopentyl]methyl]phenyl]phenoxy]propanoate
CID 177365265
cis-(1R,3S)-3-(ethenylsulfonylamino)-1-[[4-fluoro-3-(5-fluoropyrimidin-2-yl)phenyl]methyl]-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 171504869

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide (CID 171504776) is cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide is CN(O)C(=O)[C@@]1(Cc2cccc(-c3ncccn3)c2)CC[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is STPHGTHXIFQPLX-QFBILLFUSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-23(25)18(24)19(8-7-16(13-19)22-28(2,26)27)12-14-5-3-6-15(11-14)17-20-9-4-10-21-17/h3-6,9-11,16,22,25H,7-8,12-13H2,1-2H3/t16-,19+/m0/s1.
What are the key properties of cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 171504776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).