2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide

C22H25N3O3S2 — CID 24887011

IUPAC2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(N(C)CCCNS(=O)(=O)c2ccccc2C)s1
InChIInChI=1S/C22H25N3O3S2/c1-16-9-4-6-11-18(16)21(26)19-15-23-22(29-19)25(3)14-8-13-24-30(27,28)20-12-7-5-10-17(20)2/h4-7,9-12,15,24H,8,13-14H2,1-3H3
InChIKeyMGNGXPYDGYYIRF-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.80
Rot. Bonds9

About 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide

2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide (PubChem CID 24887011) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
PubChem CID24887011
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(N(C)CCCNS(=O)(=O)c2ccccc2C)s1
InChIInChI=1S/C22H25N3O3S2/c1-16-9-4-6-11-18(16)21(26)19-15-23-22(29-19)25(3)14-8-13-24-30(27,28)20-12-7-5-10-17(20)2/h4-7,9-12,15,24H,8,13-14H2,1-3H3
InChIKeyMGNGXPYDGYYIRF-UHFFFAOYSA-N
XLogP3.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Thiophene-2-sulfonic acid {3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-amide
CID 20616896
2-Chloro-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-5-trifluoromethyl-benzenesulfonamide
CID 23442647
[2-(Methylamino)-1,3-thiazol-5-yl](phenyl)methanone
CID 1485902
3-Fluoro-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-benzenesulfonamide
CID 23442561
[1,1'-Biphenyl]-4-yl[2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 1485900
4-Fluoro-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-benzenesulfonamide
CID 23442587
N,N-dimethyl-N'-[5-(4-phenylbenzoyl)-1,3-thiazol-2-yl]methanimidamide
CID 5846784
[2-(Cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
CID 172452543
CID 3508385
CID 3508385
3-[[5-[2-(Trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 10387790
5-fluoro-2-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]benzenesulfonamide
CID 11167566
3-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 11190841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide (CID 24887011) is 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide is Cc1ccccc1C(=O)c1cnc(N(C)CCCNS(=O)(=O)c2ccccc2C)s1.
What is the InChIKey of 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The InChIKey is MGNGXPYDGYYIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-16-9-4-6-11-18(16)21(26)19-15-23-22(29-19)25(3)14-8-13-24-30(27,28)20-12-7-5-10-17(20)2/h4-7,9-12,15,24H,8,13-14H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide has a molecular weight of 443.59 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide is sourced from PubChem (CID 24887011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).