N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide

C20H22N4O2S2 — CID 47944871

IUPACN-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1nnc(N2CCOCC2)s1)c1cccc2ccccc12
InChIInChI=1S/C20H22N4O2S2/c1-2-24(17-9-5-7-15-6-3-4-8-16(15)17)18(25)14-27-20-22-21-19(28-20)23-10-12-26-13-11-23/h3-9H,2,10-14H2,1H3
InChIKeyYFXOUUATCQIVQD-UHFFFAOYSA-N
MW414.56 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide

N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 47944871) has the molecular formula C20H22N4O2S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID47944871
Molecular FormulaC20H22N4O2S2
Molecular Weight414.56 g/mol
Exact Mass414.12
IUPAC NameN-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1nnc(N2CCOCC2)s1)c1cccc2ccccc12
InChIInChI=1S/C20H22N4O2S2/c1-2-24(17-9-5-7-15-6-3-4-8-16(15)17)18(25)14-27-20-22-21-19(28-20)23-10-12-26-13-11-23/h3-9H,2,10-14H2,1H3
InChIKeyYFXOUUATCQIVQD-UHFFFAOYSA-N
XLogP3.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide (CID 47944871) is N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide is CCN(C(=O)CSc1nnc(N2CCOCC2)s1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is YFXOUUATCQIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S2/c1-2-24(17-9-5-7-15-6-3-4-8-16(15)17)18(25)14-27-20-22-21-19(28-20)23-10-12-26-13-11-23/h3-9H,2,10-14H2,1H3.
What are the key properties of N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 414.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 47944871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).