2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide

C16H18N2O3S2 — CID 2234045

IUPAC2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C16H18N2O3S2/c1-23(20,21)18-15-10-6-5-9-14(15)16(19)17-11-12-22-13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3,(H,17,19)
InChIKeyXUNUACIUUWHPAX-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.58
Rot. Bonds7

About 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide

2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 2234045) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide
PubChem CID2234045
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C16H18N2O3S2/c1-23(20,21)18-15-10-6-5-9-14(15)16(19)17-11-12-22-13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3,(H,17,19)
InChIKeyXUNUACIUUWHPAX-UHFFFAOYSA-N
XLogP2.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
4-methyl-N-[2-(1-piperidinylcarbonyl)phenyl]benzenesulfonamide
CID 1049835
N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 2209610
N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 2540090
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24818355

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide (CID 2234045) is 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide is CS(=O)(=O)Nc1ccccc1C(=O)NCCSc1ccccc1.
What is the InChIKey of 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is XUNUACIUUWHPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-23(20,21)18-15-10-6-5-9-14(15)16(19)17-11-12-22-13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3,(H,17,19).
What are the key properties of 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide?
2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 350.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 2234045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).