N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide

C19H25N5O5S2 — CID 4872315

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)s1
InChIInChI=1S/C19H25N5O5S2/c1-3-17-21-22-19(30-17)20-16(25)8-9-18(26)23-10-12-24(13-11-23)31(27,28)15-6-4-14(29-2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,20,22,25)
InChIKeyWIFQECUNPMGJJC-UHFFFAOYSA-N
MW467.57 g/mol
LogP1.36
Rot. Bonds8

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide (PubChem CID 4872315) has the molecular formula C19H25N5O5S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
PubChem CID4872315
Molecular FormulaC19H25N5O5S2
Molecular Weight467.57 g/mol
Exact Mass467.13
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)s1
InChIInChI=1S/C19H25N5O5S2/c1-3-17-21-22-19(30-17)20-16(25)8-9-18(26)23-10-12-24(13-11-23)31(27,28)15-6-4-14(29-2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,20,22,25)
InChIKeyWIFQECUNPMGJJC-UHFFFAOYSA-N
XLogP1.36
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-{4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}-N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 3887994
1-(4-Methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid [5-(2-piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-amide
CID 653564
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214739
(Z)-N-(5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide
CID 3874953
4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 4616513
1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16257598
3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4801987
4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 1623710
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2014177
4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 5177449
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31912931
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55908059

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide (CID 4872315) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide is CCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide?
The InChIKey is WIFQECUNPMGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S2/c1-3-17-21-22-19(30-17)20-16(25)8-9-18(26)23-10-12-24(13-11-23)31(27,28)15-6-4-14(29-2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,20,22,25).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide has a molecular weight of 467.57 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 4872315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).