7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide

C17H29N3O3S — CID 119745689

IUPAC7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)CCCCCCN)c1C
InChIInChI=1S/C17H29N3O3S/c1-3-13-24(22,23)20-16-10-8-9-15(14(16)2)19-17(21)11-6-4-5-7-12-18/h8-10,20H,3-7,11-13,18H2,1-2H3,(H,19,21)
InChIKeyRGAWHDHHCTTXQE-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.99
Rot. Bonds11

About 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide

7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide (PubChem CID 119745689) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
PubChem CID119745689
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)CCCCCCN)c1C
InChIInChI=1S/C17H29N3O3S/c1-3-13-24(22,23)20-16-10-8-9-15(14(16)2)19-17(21)11-6-4-5-7-12-18/h8-10,20H,3-7,11-13,18H2,1-2H3,(H,19,21)
InChIKeyRGAWHDHHCTTXQE-UHFFFAOYSA-N
XLogP2.99
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.99
H-Bond Donors ≤ 53
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-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
CID 119301626
7-amino-N-[4-(propylsulfonylamino)phenyl]heptanamide;hydrochloride
CID 119754206
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
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
6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
CID 48541773
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide (CID 119745689) is 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide is CCCS(=O)(=O)Nc1cccc(NC(=O)CCCCCCN)c1C.
What is the InChIKey of 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide?
The InChIKey is RGAWHDHHCTTXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-3-13-24(22,23)20-16-10-8-9-15(14(16)2)19-17(21)11-6-4-5-7-12-18/h8-10,20H,3-7,11-13,18H2,1-2H3,(H,19,21).
What are the key properties of 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide?
7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide has a molecular weight of 355.50 g/mol, XLogP of 2.99, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide is sourced from PubChem (CID 119745689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).