N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide

C22H29N3O6S2 — CID 43017144

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)N(C)C)cc1
InChIInChI=1S/C22H29N3O6S2/c1-25(2)21(16-7-9-19(31-3)10-8-16)14-23-22(26)17-5-4-6-20(13-17)33(29,30)24-18-11-12-32(27,28)15-18/h4-10,13,18,21,24H,11-12,14-15H2,1-3H3,(H,23,26)
InChIKeyWFQCLRALUDQZTC-UHFFFAOYSA-N
MW495.62 g/mol
LogP1.19
Rot. Bonds9

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (PubChem CID 43017144) has the molecular formula C22H29N3O6S2 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
PubChem CID43017144
Molecular FormulaC22H29N3O6S2
Molecular Weight495.62 g/mol
Exact Mass495.15
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)N(C)C)cc1
InChIInChI=1S/C22H29N3O6S2/c1-25(2)21(16-7-9-19(31-3)10-8-16)14-23-22(26)17-5-4-6-20(13-17)33(29,30)24-18-11-12-32(27,28)15-18/h4-10,13,18,21,24H,11-12,14-15H2,1-3H3,(H,23,26)
InChIKeyWFQCLRALUDQZTC-UHFFFAOYSA-N
XLogP1.19
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24640055
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55347694
3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
CID 55358618
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27174310
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 111142103
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 25335599
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (CID 43017144) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is COc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The InChIKey is WFQCLRALUDQZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S2/c1-25(2)21(16-7-9-19(31-3)10-8-16)14-23-22(26)17-5-4-6-20(13-17)33(29,30)24-18-11-12-32(27,28)15-18/h4-10,13,18,21,24H,11-12,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide has a molecular weight of 495.62 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 43017144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).