N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide

C21H29N3O3S — CID 9100477

IUPACN-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H29N3O3S/c1-15-7-12-18(28(26,27)24(5)6)13-19(15)22-14-20(25)23-17-10-8-16(9-11-17)21(2,3)4/h7-13,22H,14H2,1-6H3,(H,23,25)
InChIKeyFAAXIRDGASJGLH-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.59
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide

N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide (PubChem CID 9100477) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
PubChem CID9100477
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H29N3O3S/c1-15-7-12-18(28(26,27)24(5)6)13-19(15)22-14-20(25)23-17-10-8-16(9-11-17)21(2,3)4/h7-13,22H,14H2,1-6H3,(H,23,25)
InChIKeyFAAXIRDGASJGLH-UHFFFAOYSA-N
XLogP3.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100574
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100613
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563
1-(4-tert-butylphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopropane-1-carboxamide
CID 46686248
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide (CID 9100477) is N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The InChIKey is FAAXIRDGASJGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-15-7-12-18(28(26,27)24(5)6)13-19(15)22-14-20(25)23-17-10-8-16(9-11-17)21(2,3)4/h7-13,22H,14H2,1-6H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide has a molecular weight of 403.55 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide is sourced from PubChem (CID 9100477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).