N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide

C20H21F2N3O3S2 — CID 20864821

IUPACN-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide
SMILESCc1nc2ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccc(F)cc3F)cc2s1
InChIInChI=1S/C20H21F2N3O3S2/c1-11(2)8-18(20(26)24-16-6-4-13(21)9-15(16)22)25-30(27,28)14-5-7-17-19(10-14)29-12(3)23-17/h4-7,9-11,18,25H,8H2,1-3H3,(H,24,26)
InChIKeyKOFWJBVZBHDQRI-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.21
Rot. Bonds7

About N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide

N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide (PubChem CID 20864821) has the molecular formula C20H21F2N3O3S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide
PubChem CID20864821
Molecular FormulaC20H21F2N3O3S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC NameN-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide
SMILESCc1nc2ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccc(F)cc3F)cc2s1
InChIInChI=1S/C20H21F2N3O3S2/c1-11(2)8-18(20(26)24-16-6-4-13(21)9-15(16)22)25-30(27,28)14-5-7-17-19(10-14)29-12(3)23-17/h4-7,9-11,18,25H,8H2,1-3H3,(H,24,26)
InChIKeyKOFWJBVZBHDQRI-UHFFFAOYSA-N
XLogP4.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 7973013
N-(3-chloro-2-methylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide
CID 122175631
N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide
CID 20864818
4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]pentanamide
CID 20864825
4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]pentanamide
CID 20864840
N-[(2S)-1-(4-cyclohexylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 92665570
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
N-(2-methoxy-5-methylphenyl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
CID 20868815
3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 20868797
(2S)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]butanamide
CID 92666446
(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride
CID 119707038
N-[(2-methoxyphenyl)methyl]-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
CID 20868804

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide (CID 20864821) is N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide is Cc1nc2ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccc(F)cc3F)cc2s1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide?
The InChIKey is KOFWJBVZBHDQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3S2/c1-11(2)8-18(20(26)24-16-6-4-13(21)9-15(16)22)25-30(27,28)14-5-7-17-19(10-14)29-12(3)23-17/h4-7,9-11,18,25H,8H2,1-3H3,(H,24,26).
What are the key properties of N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide?
N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide has a molecular weight of 453.54 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide is sourced from PubChem (CID 20864821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).