(2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide

C19H26N4O6S3 — CID 54338095

IUPAC(2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide
SMILESCCCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C19H26N4O6S3/c1-3-11-21(2)32(28,29)22-12-13-23(16(14-22)19(24)20-25)31(26,27)18-10-9-17(30-18)15-7-5-4-6-8-15/h4-10,16,25H,3,11-14H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyTWYUBRRWBWBNJN-MRXNPFEDSA-N
MW502.64 g/mol
LogP1.18
Rot. Bonds8

About (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide

(2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide (PubChem CID 54338095) has the molecular formula C19H26N4O6S3 and a molecular weight of 502.64 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide
PubChem CID54338095
Molecular FormulaC19H26N4O6S3
Molecular Weight502.64 g/mol
Exact Mass502.10
IUPAC Name(2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide
SMILESCCCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C19H26N4O6S3/c1-3-11-21(2)32(28,29)22-12-13-23(16(14-22)19(24)20-25)31(26,27)18-10-9-17(30-18)15-7-5-4-6-8-15/h4-10,16,25H,3,11-14H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyTWYUBRRWBWBNJN-MRXNPFEDSA-N
XLogP1.18
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.64
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
CID 18387690
sodium;(2R)-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide;hydride
CID 173236124
(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
CID 54303971
[4-[5-[(2R)-4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl]methyl acetate
CID 22901471
(2R)-1-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide
CID 54522637
N-[3-(N-methylanilino)propyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101357
4-methylsulfonyl-N-(oxan-2-yloxy)-1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]sulfonylpiperazine-2-carboxamide
CID 18387790
(2R)-1,4-bis(benzenesulfonyl)-N-(4-butylphenyl)piperazine-2-carboxamide
CID 124558467
N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89238501
(2R)-4-butanoyl-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide
CID 54549013
4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
CID 162673923
4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
CID 162661004

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide (CID 54338095) is (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide is CCCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)[C@@H](C(=O)NO)C1.
What is the InChIKey of (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide?
The InChIKey is TWYUBRRWBWBNJN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O6S3/c1-3-11-21(2)32(28,29)22-12-13-23(16(14-22)19(24)20-25)31(26,27)18-10-9-17(30-18)15-7-5-4-6-8-15/h4-10,16,25H,3,11-14H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide?
(2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 54338095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).