2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide

C15H20IN3O4S — CID 55841424

IUPAC2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)CNC(=O)c2ccccc2I)C1
InChIInChI=1S/C15H20IN3O4S/c1-24(22,23)18-11-5-4-8-19(10-11)14(20)9-17-15(21)12-6-2-3-7-13(12)16/h2-3,6-7,11,18H,4-5,8-10H2,1H3,(H,17,21)
InChIKeyZIZGWTDMLCQKBL-UHFFFAOYSA-N
MW465.31 g/mol
LogP0.56
Rot. Bonds5

About 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide

2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 55841424) has the molecular formula C15H20IN3O4S and a molecular weight of 465.31 g/mol. Its IUPAC name is 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID55841424
Molecular FormulaC15H20IN3O4S
Molecular Weight465.31 g/mol
Exact Mass465.02
IUPAC Name2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)CNC(=O)c2ccccc2I)C1
InChIInChI=1S/C15H20IN3O4S/c1-24(22,23)18-11-5-4-8-19(10-11)14(20)9-17-15(21)12-6-2-3-7-13(12)16/h2-3,6-7,11,18H,4-5,8-10H2,1H3,(H,17,21)
InChIKeyZIZGWTDMLCQKBL-UHFFFAOYSA-N
XLogP0.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 119489961
N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide
CID 55844259
N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 97072958
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 154838972
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 51083543
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
CID 112768344
3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 51083667
4-[3-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 125151434
2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 55967104
N-[(3S)-1-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]piperidin-3-yl]methanesulfonamide
CID 129323229

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide (CID 55841424) is 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide is CS(=O)(=O)NC1CCCN(C(=O)CNC(=O)c2ccccc2I)C1.
What is the InChIKey of 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is ZIZGWTDMLCQKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O4S/c1-24(22,23)18-11-5-4-8-19(10-11)14(20)9-17-15(21)12-6-2-3-7-13(12)16/h2-3,6-7,11,18H,4-5,8-10H2,1H3,(H,17,21).
What are the key properties of 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide?
2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 465.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 55841424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).