N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide

C20H22N4OS2 — CID 69004916

IUPACN-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCCC1)C(Nc1ccc(-c2csnn2)cc1)c1cccs1
InChIInChI=1S/C20H22N4OS2/c25-20(22-15-5-2-1-3-6-15)19(18-7-4-12-26-18)21-16-10-8-14(9-11-16)17-13-27-24-23-17/h4,7-13,15,19,21H,1-3,5-6H2,(H,22,25)
InChIKeyFKHXYPHKNTYXIX-UHFFFAOYSA-N
MW398.56 g/mol
LogP4.87
Rot. Bonds6

About N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide

N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide (PubChem CID 69004916) has the molecular formula C20H22N4OS2 and a molecular weight of 398.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide
PubChem CID69004916
Molecular FormulaC20H22N4OS2
Molecular Weight398.56 g/mol
Exact Mass398.12
IUPAC NameN-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCCC1)C(Nc1ccc(-c2csnn2)cc1)c1cccs1
InChIInChI=1S/C20H22N4OS2/c25-20(22-15-5-2-1-3-6-15)19(18-7-4-12-26-18)21-16-10-8-14(9-11-16)17-13-27-24-23-17/h4,7-13,15,19,21H,1-3,5-6H2,(H,22,25)
InChIKeyFKHXYPHKNTYXIX-UHFFFAOYSA-N
XLogP4.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide (CID 69004916) is N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide is O=C(NC1CCCCC1)C(Nc1ccc(-c2csnn2)cc1)c1cccs1.
What is the InChIKey of N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide?
The InChIKey is FKHXYPHKNTYXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2/c25-20(22-15-5-2-1-3-6-15)19(18-7-4-12-26-18)21-16-10-8-14(9-11-16)17-13-27-24-23-17/h4,7-13,15,19,21H,1-3,5-6H2,(H,22,25).
What are the key properties of N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide?
N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide has a molecular weight of 398.56 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(thiadiazol-4-yl)anilino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 69004916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).