N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide

C18H22N2O4S — CID 7601402

IUPACN-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-13-5-7-14(8-6-13)12-20(2)18(21)16-11-15(25(19,22)23)9-10-17(16)24-3/h5-11H,4,12H2,1-3H3,(H2,19,22,23)
InChIKeyBBEVBAVPBMVLDF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.18
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide

N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide (PubChem CID 7601402) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
PubChem CID7601402
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-13-5-7-14(8-6-13)12-20(2)18(21)16-11-15(25(19,22)23)9-10-17(16)24-3/h5-11H,4,12H2,1-3H3,(H2,19,22,23)
InChIKeyBBEVBAVPBMVLDF-UHFFFAOYSA-N
XLogP2.18
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 39912911
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
CID 18115072
2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 34889810
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
N-(cyclobutylmethyl)-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 63933053
2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide
CID 118772025
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 51164410
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24544465
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide (CID 7601402) is N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide is CCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide?
The InChIKey is BBEVBAVPBMVLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-13-5-7-14(8-6-13)12-20(2)18(21)16-11-15(25(19,22)23)9-10-17(16)24-3/h5-11H,4,12H2,1-3H3,(H2,19,22,23).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide?
N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 7601402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).