4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide

C16H27N3O4S — CID 120593058

IUPAC4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H27N3O4S/c1-11-6-7-12(18-15(20)9-13(10-17)23-5)8-14(11)24(21,22)19-16(2,3)4/h6-8,13,19H,9-10,17H2,1-5H3,(H,18,20)
InChIKeyQBGLFPJHYDMWMZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.37
Rot. Bonds7

About 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide

4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide (PubChem CID 120593058) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
PubChem CID120593058
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H27N3O4S/c1-11-6-7-12(18-15(20)9-13(10-17)23-5)8-14(11)24(21,22)19-16(2,3)4/h6-8,13,19H,9-10,17H2,1-5H3,(H,18,20)
InChIKeyQBGLFPJHYDMWMZ-UHFFFAOYSA-N
XLogP1.37
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119798970
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040
5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120592024
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 106111636
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119332400
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide (CID 120593058) is 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide?
The InChIKey is QBGLFPJHYDMWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-11-6-7-12(18-15(20)9-13(10-17)23-5)8-14(11)24(21,22)19-16(2,3)4/h6-8,13,19H,9-10,17H2,1-5H3,(H,18,20).
What are the key properties of 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide?
4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide has a molecular weight of 357.48 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide is sourced from PubChem (CID 120593058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).