N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

C22H31N3O6S2 — CID 100678955

IUPACN-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1
InChIInChI=1S/C22H31N3O6S2/c1-6-25(7-2)33(29,30)19-11-9-18(10-12-19)23-22(26)15-8-17-16-20(13-14-21(17)31-5)32(27,28)24(3)4/h9-14,16H,6-8,15H2,1-5H3,(H,23,26)
InChIKeyDJVRJQXARWQCQS-UHFFFAOYSA-N
MW497.64 g/mol
LogP2.55
Rot. Bonds11

About N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 100678955) has the molecular formula C22H31N3O6S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID100678955
Molecular FormulaC22H31N3O6S2
Molecular Weight497.64 g/mol
Exact Mass497.17
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1
InChIInChI=1S/C22H31N3O6S2/c1-6-25(7-2)33(29,30)19-11-9-18(10-12-19)23-22(26)15-8-17-16-20(13-14-21(17)31-5)32(27,28)24(3)4/h9-14,16H,6-8,15H2,1-5H3,(H,23,26)
InChIKeyDJVRJQXARWQCQS-UHFFFAOYSA-N
XLogP2.55
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
CID 100562291
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100751352
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
methyl 2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-4,5-dimethoxybenzoate
CID 100600934
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 2672822
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100556358
3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 55314759

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 100678955) is N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is DJVRJQXARWQCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S2/c1-6-25(7-2)33(29,30)19-11-9-18(10-12-19)23-22(26)15-8-17-16-20(13-14-21(17)31-5)32(27,28)24(3)4/h9-14,16H,6-8,15H2,1-5H3,(H,23,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 497.64 g/mol, XLogP of 2.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 100678955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).