N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide

C20H28N4O2S — CID 2024828

IUPACN-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCCc1ccc(NC(=O)CCC(=O)Nc2nnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C20H28N4O2S/c1-5-6-7-14-8-10-15(11-9-14)21-16(25)12-13-17(26)22-19-24-23-18(27-19)20(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,24,26)
InChIKeyVYUKLDBSUNDMBN-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.54
Rot. Bonds8

About N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide

N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 2024828) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID2024828
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCCc1ccc(NC(=O)CCC(=O)Nc2nnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C20H28N4O2S/c1-5-6-7-14-8-10-15(11-9-14)21-16(25)12-13-17(26)22-19-24-23-18(27-19)20(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,24,26)
InChIKeyVYUKLDBSUNDMBN-UHFFFAOYSA-N
XLogP4.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422102
N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
CID 2005532
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
2-benzylsulfanyl-N-[5-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 44956963
N-(4-heptylphenyl)heptanamide
CID 101077737
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
N-[5-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-phenylbenzamide
CID 44956663
N-(4-butylphenyl)-3-methylsulfonylpropanamide
CID 127504583
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 2024828) is N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide is CCCCc1ccc(NC(=O)CCC(=O)Nc2nnc(C(C)(C)C)s2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is VYUKLDBSUNDMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-5-6-7-14-8-10-15(11-9-14)21-16(25)12-13-17(26)22-19-24-23-18(27-19)20(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,24,26).
What are the key properties of N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 388.54 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 2024828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).