2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C18H22N4O3S2 — CID 56506585

IUPAC2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CS(=O)(=O)c1nnc(N2CCCC2)s1)NC1CCCc2ccccc21
InChIInChI=1S/C18H22N4O3S2/c23-16(19-15-9-5-7-13-6-1-2-8-14(13)15)12-27(24,25)18-21-20-17(26-18)22-10-3-4-11-22/h1-2,6,8,15H,3-5,7,9-12H2,(H,19,23)
InChIKeyIPNUOFWPXNCEFR-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.11
Rot. Bonds5

About 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 56506585) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID56506585
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CS(=O)(=O)c1nnc(N2CCCC2)s1)NC1CCCc2ccccc21
InChIInChI=1S/C18H22N4O3S2/c23-16(19-15-9-5-7-13-6-1-2-8-14(13)15)12-27(24,25)18-21-20-17(26-18)22-10-3-4-11-22/h1-2,6,8,15H,3-5,7,9-12H2,(H,19,23)
InChIKeyIPNUOFWPXNCEFR-UHFFFAOYSA-N
XLogP2.11
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 20889496
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4781261
2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75403884
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 7876686
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
1-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 51687317
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651
2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133204363
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
1-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 95299077

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 56506585) is 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CS(=O)(=O)c1nnc(N2CCCC2)s1)NC1CCCc2ccccc21.
What is the InChIKey of 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is IPNUOFWPXNCEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c23-16(19-15-9-5-7-13-6-1-2-8-14(13)15)12-27(24,25)18-21-20-17(26-18)22-10-3-4-11-22/h1-2,6,8,15H,3-5,7,9-12H2,(H,19,23).
What are the key properties of 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 56506585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).