3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide

C14H23N3O3S — CID 60849933

IUPAC3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCNC(C)(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)16-10-9-13(18)17-11-5-7-12(8-6-11)21(19,20)15-4/h5-8,15-16H,9-10H2,1-4H3,(H,17,18)
InChIKeyWMWGAHUGTDTSAC-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds6

About 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide

3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 60849933) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID60849933
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCNC(C)(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)16-10-9-13(18)17-11-5-7-12(8-6-11)21(19,20)15-4/h5-8,15-16H,9-10H2,1-4H3,(H,17,18)
InChIKeyWMWGAHUGTDTSAC-UHFFFAOYSA-N
XLogP1.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylamino)-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 60849734
tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate
CID 9188430
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 59806865
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
methyl 4-[4-(tert-butylsulfamoyl)anilino]-4-oxobutanoate
CID 5199846
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide (CID 60849933) is 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(NC(=O)CCNC(C)(C)C)cc1.
What is the InChIKey of 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is WMWGAHUGTDTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)16-10-9-13(18)17-11-5-7-12(8-6-11)21(19,20)15-4/h5-8,15-16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 313.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 60849933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).