N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

C22H24N2O2S2 — CID 38540845

IUPACN-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C22H24N2O2S2/c1-4-17-6-8-19(9-7-17)24(16(3)25)22-23-18(15-28-22)14-27-21-12-10-20(11-13-21)26-5-2/h6-13,15H,4-5,14H2,1-3H3
InChIKeyGTQIIBHDTHYAOP-UHFFFAOYSA-N
MW412.58 g/mol
LogP6.08
Rot. Bonds8

About N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 38540845) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID38540845
Molecular FormulaC22H24N2O2S2
Molecular Weight412.58 g/mol
Exact Mass412.13
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C22H24N2O2S2/c1-4-17-6-8-19(9-7-17)24(16(3)25)22-23-18(15-28-22)14-27-21-12-10-20(11-13-21)26-5-2/h6-13,15H,4-5,14H2,1-3H3
InChIKeyGTQIIBHDTHYAOP-UHFFFAOYSA-N
XLogP6.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 16527843
N-(4-ethylphenyl)-N-[4-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35041396
N-(4-ethylphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 7866554
N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 34252090
N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8694972
N-[4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 9272803
N-phenyl-N-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35064397
ethyl 6-[[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
CID 16556726
N-[4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8907868
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-(2-ethoxyphenoxy)acetate
CID 46538368
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 112779904
N-(4-ethylphenyl)-N-[4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 55578534

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 38540845) is N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is CCOc1ccc(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is GTQIIBHDTHYAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S2/c1-4-17-6-8-19(9-7-17)24(16(3)25)22-23-18(15-28-22)14-27-21-12-10-20(11-13-21)26-5-2/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 412.58 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 38540845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).