N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C23H30N2O6S2 — CID 55520186

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCCCCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H30N2O6S2/c1-4-5-13-25(19-12-14-32(27,28)16-19)23(26)22-15-21(11-6-17(22)2)33(29,30)24-18-7-9-20(31-3)10-8-18/h6-11,15,19,24H,4-5,12-14,16H2,1-3H3
InChIKeyQIQZSSVMRLKOLV-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.23
Rot. Bonds9

About N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55520186) has the molecular formula C23H30N2O6S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55520186
Molecular FormulaC23H30N2O6S2
Molecular Weight494.64 g/mol
Exact Mass494.15
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCCCCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H30N2O6S2/c1-4-5-13-25(19-12-14-32(27,28)16-19)23(26)22-15-21(11-6-17(22)2)33(29,30)24-18-7-9-20(31-3)10-8-18/h6-11,15,19,24H,4-5,12-14,16H2,1-3H3
InChIKeyQIQZSSVMRLKOLV-UHFFFAOYSA-N
XLogP3.23
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-(1,1-dioxothiolan-3-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55520088
5-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide
CID 120617449
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55607998
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-methyl-5-methylsulfonylbenzamide
CID 8834152
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55984153
N-butyl-5-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 55377218
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55596779
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 71962633
5-(azepan-1-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-propylbenzamide
CID 24978947

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 55520186) is N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is CCCCN(C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is QIQZSSVMRLKOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S2/c1-4-5-13-25(19-12-14-32(27,28)16-19)23(26)22-15-21(11-6-17(22)2)33(29,30)24-18-7-9-20(31-3)10-8-18/h6-11,15,19,24H,4-5,12-14,16H2,1-3H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 494.64 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55520186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).