(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide

C14H16N4O2S3 — CID 7898093

IUPAC(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](Sc1nnc(SC)s1)c1ccccc1
InChIInChI=1S/C14H16N4O2S3/c1-3-15-12(20)16-11(19)10(9-7-5-4-6-8-9)22-14-18-17-13(21-2)23-14/h4-8,10H,3H2,1-2H3,(H2,15,16,19,20)/t10-/m0/s1
InChIKeyJNNVXHNRBCNEFS-JTQLQIEISA-N
MW368.51 g/mol
LogP2.94
Rot. Bonds6

About (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide

(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 7898093) has the molecular formula C14H16N4O2S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
PubChem CID7898093
Molecular FormulaC14H16N4O2S3
Molecular Weight368.51 g/mol
Exact Mass368.04
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](Sc1nnc(SC)s1)c1ccccc1
InChIInChI=1S/C14H16N4O2S3/c1-3-15-12(20)16-11(19)10(9-7-5-4-6-8-9)22-14-18-17-13(21-2)23-14/h4-8,10H,3H2,1-2H3,(H2,15,16,19,20)/t10-/m0/s1
InChIKeyJNNVXHNRBCNEFS-JTQLQIEISA-N
XLogP2.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(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-(ethylcarbamoyl)-2-phenylacetamide
CID 7757047
(2R)-N-(methylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
CID 7474505
ethyl 2-[2-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8606311
(2S)-2-[[5-[(R)-carboxy(phenyl)methyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetic acid
CID 27153276
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 7877557
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7940607
(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)-N-(ethylcarbamoyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 7416683
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7416988
(2S)-2-[[5-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 27765782

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide (CID 7898093) is (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide is CCNC(=O)NC(=O)[C@@H](Sc1nnc(SC)s1)c1ccccc1.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is JNNVXHNRBCNEFS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O2S3/c1-3-15-12(20)16-11(19)10(9-7-5-4-6-8-9)22-14-18-17-13(21-2)23-14/h4-8,10H,3H2,1-2H3,(H2,15,16,19,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide?
(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 368.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 7898093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).