N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide

C19H25N3O3S2 — CID 16827164

IUPACN-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCC3CCCCC3)cs2)cc1
InChIInChI=1S/C19H25N3O3S2/c1-14-7-9-17(10-8-14)27(24,25)22-19-21-16(13-26-19)11-18(23)20-12-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyJSJZPKWWIMBAEM-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.49
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 16827164) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID16827164
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCC3CCCCC3)cs2)cc1
InChIInChI=1S/C19H25N3O3S2/c1-14-7-9-17(10-8-14)27(24,25)22-19-21-16(13-26-19)11-18(23)20-12-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyJSJZPKWWIMBAEM-UHFFFAOYSA-N
XLogP3.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 11223125
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 16827166
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899514
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 108802089

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide (CID 16827164) is N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide is Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCC3CCCCC3)cs2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is JSJZPKWWIMBAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-14-7-9-17(10-8-14)27(24,25)22-19-21-16(13-26-19)11-18(23)20-12-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide?
N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16827164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).