N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C26H33N3O5S2 — CID 155168802

IUPACN-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCOCC(C)Oc1ccc(-c2csc(NC(=O)C(CC(C)C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C26H33N3O5S2/c1-17(2)14-23(29-36(31,32)22-12-6-18(3)7-13-22)25(30)28-26-27-24(16-35-26)20-8-10-21(11-9-20)34-19(4)15-33-5/h6-13,16-17,19,23,29H,14-15H2,1-5H3,(H,27,28,30)
InChIKeyGDXSUXLCAPLZMT-UHFFFAOYSA-N
MW531.70 g/mol
LogP4.86
Rot. Bonds12

About N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 155168802) has the molecular formula C26H33N3O5S2 and a molecular weight of 531.70 g/mol. Its IUPAC name is N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID155168802
Molecular FormulaC26H33N3O5S2
Molecular Weight531.70 g/mol
Exact Mass531.19
IUPAC NameN-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCOCC(C)Oc1ccc(-c2csc(NC(=O)C(CC(C)C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C26H33N3O5S2/c1-17(2)14-23(29-36(31,32)22-12-6-18(3)7-13-22)25(30)28-26-27-24(16-35-26)20-8-10-21(11-9-20)34-19(4)15-33-5/h6-13,16-17,19,23,29H,14-15H2,1-5H3,(H,27,28,30)
InChIKeyGDXSUXLCAPLZMT-UHFFFAOYSA-N
XLogP4.86
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.70
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 155169077
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 98403414
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46592712
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 15336479
[4-(2-amino-1,3-thiazol-4-yl)phenyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 155168817
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55941569
(2S)-3-(1,3-benzoxazol-2-ylamino)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 155168953
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 47739085
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
CID 25387218

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 155168802) is N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is COCC(C)Oc1ccc(-c2csc(NC(=O)C(CC(C)C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is GDXSUXLCAPLZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S2/c1-17(2)14-23(29-36(31,32)22-12-6-18(3)7-13-22)25(30)28-26-27-24(16-35-26)20-8-10-21(11-9-20)34-19(4)15-33-5/h6-13,16-17,19,23,29H,14-15H2,1-5H3,(H,27,28,30).
What are the key properties of N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 531.70 g/mol, XLogP of 4.86, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methoxypropan-2-yloxy)phenyl]-1,3-thiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 155168802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).