4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide

C13H21N3O3S — CID 81076245

IUPAC4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)CN)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-9(8-14)6-13(17)15-11-4-5-12(10(2)7-11)16-20(3,18)19/h4-5,7,9,16H,6,8,14H2,1-3H3,(H,15,17)
InChIKeyHGFCUITWHYEANJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.29
Rot. Bonds6

About 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide

4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide (PubChem CID 81076245) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
PubChem CID81076245
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)CN)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-9(8-14)6-13(17)15-11-4-5-12(10(2)7-11)16-20(3,18)19/h4-5,7,9,16H,6,8,14H2,1-3H3,(H,15,17)
InChIKeyHGFCUITWHYEANJ-UHFFFAOYSA-N
XLogP1.29
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
3-(aminomethyl)-N-[3-chloro-4-(methanesulfonamido)phenyl]pentanamide
CID 81070770
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652
4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide (CID 81076245) is 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide is Cc1cc(NC(=O)CC(C)CN)ccc1NS(C)(=O)=O.
What is the InChIKey of 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide?
The InChIKey is HGFCUITWHYEANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(8-14)6-13(17)15-11-4-5-12(10(2)7-11)16-20(3,18)19/h4-5,7,9,16H,6,8,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide?
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide has a molecular weight of 299.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 81076245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).