4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide

C14H23N3O3S — CID 119301626

IUPAC4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)CCCN)c1C
InChIInChI=1S/C14H23N3O3S/c1-3-10-21(19,20)17-13-7-4-6-12(11(13)2)16-14(18)8-5-9-15/h4,6-7,17H,3,5,8-10,15H2,1-2H3,(H,16,18)
InChIKeyWSEFQUXXXNAKNK-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.82
Rot. Bonds8

About 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide

4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide (PubChem CID 119301626) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
PubChem CID119301626
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)CCCN)c1C
InChIInChI=1S/C14H23N3O3S/c1-3-10-21(19,20)17-13-7-4-6-12(11(13)2)16-14(18)8-5-9-15/h4,6-7,17H,3,5,8-10,15H2,1-2H3,(H,16,18)
InChIKeyWSEFQUXXXNAKNK-UHFFFAOYSA-N
XLogP1.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
tert-butyl N-[3-[2-methyl-3-(propylsulfonylamino)anilino]-3-oxopropyl]carbamate
CID 48541913
2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 47078779
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 119342097
3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
CID 48541773
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride
CID 119754206
methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate
CID 48541505
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide (CID 119301626) is 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide is CCCS(=O)(=O)Nc1cccc(NC(=O)CCCN)c1C.
What is the InChIKey of 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide?
The InChIKey is WSEFQUXXXNAKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-10-21(19,20)17-13-7-4-6-12(11(13)2)16-14(18)8-5-9-15/h4,6-7,17H,3,5,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide?
4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide has a molecular weight of 313.42 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide is sourced from PubChem (CID 119301626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).