6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide

C16H21N3O3S2 — CID 647437

IUPAC6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H21N3O3S2/c1-13-6-8-14(9-7-13)24(21,22)18-10-4-2-3-5-15(20)19-16-17-11-12-23-16/h6-9,11-12,18H,2-5,10H2,1H3,(H,17,19,20)
InChIKeyYRMXMJDXXJCTQG-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.93
Rot. Bonds9

About 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide

6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide (PubChem CID 647437) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide
PubChem CID647437
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H21N3O3S2/c1-13-6-8-14(9-7-13)24(21,22)18-10-4-2-3-5-15(20)19-16-17-11-12-23-16/h6-9,11-12,18H,2-5,10H2,1H3,(H,17,19,20)
InChIKeyYRMXMJDXXJCTQG-UHFFFAOYSA-N
XLogP2.93
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide (CID 647437) is 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide is Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide?
The InChIKey is YRMXMJDXXJCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-13-6-8-14(9-7-13)24(21,22)18-10-4-2-3-5-15(20)19-16-17-11-12-23-16/h6-9,11-12,18H,2-5,10H2,1H3,(H,17,19,20).
What are the key properties of 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide?
6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide has a molecular weight of 367.50 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 647437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).