7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide

C16H27N3O3S — CID 119675156

IUPAC7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O3S/c1-13-9-10-14(12-15(13)23(21,22)19(2)3)18-16(20)8-6-4-5-7-11-17/h9-10,12H,4-8,11,17H2,1-3H3,(H,18,20)
InChIKeyUBTUIFCWCFKTJJ-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.09
Rot. Bonds9

About 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide

7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide (PubChem CID 119675156) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
PubChem CID119675156
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O3S/c1-13-9-10-14(12-15(13)23(21,22)19(2)3)18-16(20)8-6-4-5-7-11-17/h9-10,12H,4-8,11,17H2,1-3H3,(H,18,20)
InChIKeyUBTUIFCWCFKTJJ-UHFFFAOYSA-N
XLogP2.09
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119797366
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide (CID 119675156) is 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide is Cc1ccc(NC(=O)CCCCCCN)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide?
The InChIKey is UBTUIFCWCFKTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-13-9-10-14(12-15(13)23(21,22)19(2)3)18-16(20)8-6-4-5-7-11-17/h9-10,12H,4-8,11,17H2,1-3H3,(H,18,20).
What are the key properties of 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide?
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide has a molecular weight of 341.48 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide is sourced from PubChem (CID 119675156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).