N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide

C23H26N4O3S — CID 43815579

IUPACN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCCC2)c2ccco2)c1C
InChIInChI=1S/C23H26N4O3S/c1-15-8-6-11-19(16(15)2)27(23(29)18-14-31-26-25-18)21(20-12-7-13-30-20)22(28)24-17-9-4-3-5-10-17/h6-8,11-14,17,21H,3-5,9-10H2,1-2H3,(H,24,28)
InChIKeyMIHCHCSUSPAPTC-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.58
Rot. Bonds6

About N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 43815579) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID43815579
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCCC2)c2ccco2)c1C
InChIInChI=1S/C23H26N4O3S/c1-15-8-6-11-19(16(15)2)27(23(29)18-14-31-26-25-18)21(20-12-7-13-30-20)22(28)24-17-9-4-3-5-10-17/h6-8,11-14,17,21H,3-5,9-10H2,1-2H3,(H,24,28)
InChIKeyMIHCHCSUSPAPTC-UHFFFAOYSA-N
XLogP4.58
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452161
N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221899
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
CID 1452413
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 25410205
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219250
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219271
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410502
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 1469023
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467625

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide (CID 43815579) is N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide is Cc1cccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCCC2)c2ccco2)c1C.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is MIHCHCSUSPAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-8-6-11-19(16(15)2)27(23(29)18-14-31-26-25-18)21(20-12-7-13-30-20)22(28)24-17-9-4-3-5-10-17/h6-8,11-14,17,21H,3-5,9-10H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 43815579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).