N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide

C19H22N4O3S — CID 24761943

IUPACN-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCC(=O)c1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C19H22N4O3S/c1-13(24)14-6-5-9-16(10-14)23(19(26)17-12-27-22-21-17)11-18(25)20-15-7-3-2-4-8-15/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,20,25)
InChIKeyICCHQOIXDPRBBL-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.84
Rot. Bonds6

About N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide

N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 24761943) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID24761943
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCC(=O)c1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C19H22N4O3S/c1-13(24)14-6-5-9-16(10-14)23(19(26)17-12-27-22-21-17)11-18(25)20-15-7-3-2-4-8-15/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,20,25)
InChIKeyICCHQOIXDPRBBL-UHFFFAOYSA-N
XLogP2.84
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide (CID 24761943) is N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide is CC(=O)c1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is ICCHQOIXDPRBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13(24)14-6-5-9-16(10-14)23(19(26)17-12-27-22-21-17)11-18(25)20-15-7-3-2-4-8-15/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,20,25).
What are the key properties of N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24761943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).