3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide

C20H27N3O3S — CID 120611166

IUPAC3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1c(NC(=O)CCc2ccccc2N)cccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O3S/c1-14-17(10-7-11-18(14)27(25,26)23-20(2,3)4)22-19(24)13-12-15-8-5-6-9-16(15)21/h5-11,23H,12-13,21H2,1-4H3,(H,22,24)
InChIKeyGSAUTMLEHFBWTD-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.23
Rot. Bonds6

About 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide

3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide (PubChem CID 120611166) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide
PubChem CID120611166
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1c(NC(=O)CCc2ccccc2N)cccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O3S/c1-14-17(10-7-11-18(14)27(25,26)23-20(2,3)4)22-19(24)13-12-15-8-5-6-9-16(15)21/h5-11,23H,12-13,21H2,1-4H3,(H,22,24)
InChIKeyGSAUTMLEHFBWTD-UHFFFAOYSA-N
XLogP3.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
CID 120611008
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763
2-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272931
3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
CID 107273305
5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
CID 120635238
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 119342097
2-(2-aminophenyl)-N-(2,3-dimethylphenyl)acetamide
CID 16794842
3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
CID 56791677
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-(2-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63670710
N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane
CID 90756496

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide (CID 120611166) is 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide is Cc1c(NC(=O)CCc2ccccc2N)cccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide?
The InChIKey is GSAUTMLEHFBWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14-17(10-7-11-18(14)27(25,26)23-20(2,3)4)22-19(24)13-12-15-8-5-6-9-16(15)21/h5-11,23H,12-13,21H2,1-4H3,(H,22,24).
What are the key properties of 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide?
3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide has a molecular weight of 389.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 120611166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).