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

C19H24N4O3S — CID 3222275

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide
SMILESCOc1cccc(CN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C19H24N4O3S/c1-26-16-9-5-6-14(10-16)11-23(19(25)17-13-27-22-21-17)12-18(24)20-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,20,24)
InChIKeyZAWCYVHOXAEPDW-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.64
Rot. Bonds7

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

N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide (PubChem CID 3222275) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide
PubChem CID3222275
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide
SMILESCOc1cccc(CN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C19H24N4O3S/c1-26-16-9-5-6-14(10-16)11-23(19(25)17-13-27-22-21-17)12-18(24)20-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,20,24)
InChIKeyZAWCYVHOXAEPDW-UHFFFAOYSA-N
XLogP2.64
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 1467660
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 1143452
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467732
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219279
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
3-cyclopentyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 116507613
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219269
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide (CID 3222275) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide is COc1cccc(CN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is ZAWCYVHOXAEPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-26-16-9-5-6-14(10-16)11-23(19(25)17-13-27-22-21-17)12-18(24)20-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,20,24).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).