7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide

C17H29N3O3S — CID 119741155

IUPAC7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H29N3O3S/c1-14(19-17(21)8-6-4-5-7-13-18)15-9-11-16(12-10-15)24(22,23)20(2)3/h9-12,14H,4-8,13,18H2,1-3H3,(H,19,21)
InChIKeyTZLIHOUXWLWJDB-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.02
Rot. Bonds10

About 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide

7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide (PubChem CID 119741155) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
PubChem CID119741155
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H29N3O3S/c1-14(19-17(21)8-6-4-5-7-13-18)15-9-11-16(12-10-15)24(22,23)20(2)3/h9-12,14H,4-8,13,18H2,1-3H3,(H,19,21)
InChIKeyTZLIHOUXWLWJDB-UHFFFAOYSA-N
XLogP2.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.02
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

4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
4-(4-acetyl-2-methoxyphenoxy)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 55892746

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide (CID 119741155) is 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide is CC(NC(=O)CCCCCCN)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide?
The InChIKey is TZLIHOUXWLWJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-14(19-17(21)8-6-4-5-7-13-18)15-9-11-16(12-10-15)24(22,23)20(2)3/h9-12,14H,4-8,13,18H2,1-3H3,(H,19,21).
What are the key properties of 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide?
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide has a molecular weight of 355.50 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide is sourced from PubChem (CID 119741155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).