(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide

C19H19N3O2S2 — CID 2202699

IUPAC(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCCOCc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C19H19N3O2S2/c1-2-24-13-16-21-22-19(26-16)20-18(23)17(14-9-5-3-6-10-14)25-15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,22,23)/t17-/m0/s1
InChIKeyIONGOJIGQDVXRC-KRWDZBQOSA-N
MW385.51 g/mol
LogP4.55
Rot. Bonds8

About (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide

(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2202699) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2202699
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCCOCc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C19H19N3O2S2/c1-2-24-13-16-21-22-19(26-16)20-18(23)17(14-9-5-3-6-10-14)25-15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,22,23)/t17-/m0/s1
InChIKeyIONGOJIGQDVXRC-KRWDZBQOSA-N
XLogP4.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 2202698
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 7263150
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2972072
2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid
CID 56920152
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 82176329
N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 5211016
4,5-dimethyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxamide
CID 2931398
4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 1009226
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 23097229
(2S)-2-chloro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 28732755
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide (CID 2202699) is (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide is CCOCc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1.
What is the InChIKey of (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is IONGOJIGQDVXRC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-2-24-13-16-21-22-19(26-16)20-18(23)17(14-9-5-3-6-10-14)25-15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,22,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide?
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 385.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2202699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).