N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

C21H27N3O2S2 — CID 16899514

IUPACN-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)CSc2nc(CC(=O)NCC3CCCCC3)cs2)cc1
InChIInChI=1S/C21H27N3O2S2/c1-15-7-9-17(10-8-15)23-20(26)14-28-21-24-18(13-27-21)11-19(25)22-12-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyUKSDHGWLXCSERK-UHFFFAOYSA-N
MW417.60 g/mol
LogP4.42
Rot. Bonds8

About N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 16899514) has the molecular formula C21H27N3O2S2 and a molecular weight of 417.60 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
PubChem CID16899514
Molecular FormulaC21H27N3O2S2
Molecular Weight417.60 g/mol
Exact Mass417.15
IUPAC NameN-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)CSc2nc(CC(=O)NCC3CCCCC3)cs2)cc1
InChIInChI=1S/C21H27N3O2S2/c1-15-7-9-17(10-8-15)23-20(26)14-28-21-24-18(13-27-21)11-19(25)22-12-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyUKSDHGWLXCSERK-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465
N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 16899394
N-(3,4-dimethylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899482
N-(2-methoxy-4-methylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899510
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide
CID 16899277
N-(furan-2-ylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899437
N-cyclopropyl-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899078
N-ethyl-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16898975
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 16899433
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide
CID 16899389
N-[2-(3-methoxyphenyl)ethyl]-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899507
N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900243

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 16899514) is N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is Cc1ccc(NC(=O)CSc2nc(CC(=O)NCC3CCCCC3)cs2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The InChIKey is UKSDHGWLXCSERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S2/c1-15-7-9-17(10-8-15)23-20(26)14-28-21-24-18(13-27-21)11-19(25)22-12-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 417.60 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16899514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).