(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide

C18H17N3O2S2 — CID 7757047

IUPAC(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](Sc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C18H17N3O2S2/c1-2-19-17(23)21-16(22)15(12-8-4-3-5-9-12)25-18-20-13-10-6-7-11-14(13)24-18/h3-11,15H,2H2,1H3,(H2,19,21,22,23)/t15-/m1/s1
InChIKeyLJZPKBYRGGTLHH-OAHLLOKOSA-N
MW371.49 g/mol
LogP3.98
Rot. Bonds5

About (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide

(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide (PubChem CID 7757047) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide
PubChem CID7757047
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](Sc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C18H17N3O2S2/c1-2-19-17(23)21-16(22)15(12-8-4-3-5-9-12)25-18-20-13-10-6-7-11-14(13)24-18/h3-11,15H,2H2,1H3,(H2,19,21,22,23)/t15-/m1/s1
InChIKeyLJZPKBYRGGTLHH-OAHLLOKOSA-N
XLogP3.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
CID 7898093
(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7372993
2-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methyl]-N,N'-diethylbutanediamide
CID 70411381
(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798366
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-2-phenylpropyl]propanamide
CID 7756809
ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-methylphenyl)acetate
CID 54064077
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7857251
N-(ethylcarbamoyl)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17424434
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)butanoate
CID 6927172
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2434025
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7696703
methyl (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoate
CID 7034825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide (CID 7757047) is (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide is CCNC(=O)NC(=O)[C@H](Sc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide?
The InChIKey is LJZPKBYRGGTLHH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-2-19-17(23)21-16(22)15(12-8-4-3-5-9-12)25-18-20-13-10-6-7-11-14(13)24-18/h3-11,15H,2H2,1H3,(H2,19,21,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide?
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide has a molecular weight of 371.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 7757047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).