N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide

C21H29N3O5S2 — CID 30880575

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)ccc1C
InChIInChI=1S/C21H29N3O5S2/c1-6-24(7-2)31(28,29)20-14-18(12-11-16(20)5)22-21(25)17-9-8-10-19(13-17)30(26,27)23-15(3)4/h8-15,23H,6-7H2,1-5H3,(H,22,25)
InChIKeyRMTZYFXDMTVHRT-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.96
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 30880575) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID30880575
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)ccc1C
InChIInChI=1S/C21H29N3O5S2/c1-6-24(7-2)31(28,29)20-14-18(12-11-16(20)5)22-21(25)17-9-8-10-19(13-17)30(26,27)23-15(3)4/h8-15,23H,6-7H2,1-5H3,(H,22,25)
InChIKeyRMTZYFXDMTVHRT-UHFFFAOYSA-N
XLogP2.96
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(diethylsulfamoyl)-4-methylphenyl]sulfamoyl]benzoic acid
CID 3917866
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-[1-[3-(diethylsulfamoyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 3430865
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46817764

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 30880575) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is RMTZYFXDMTVHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-6-24(7-2)31(28,29)20-14-18(12-11-16(20)5)22-21(25)17-9-8-10-19(13-17)30(26,27)23-15(3)4/h8-15,23H,6-7H2,1-5H3,(H,22,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 467.61 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 30880575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).