4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide

C17H22N4O3S — CID 55527934

IUPAC4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C17H22N4O3S/c1-3-5-10-24-13-8-6-12(7-9-13)16(23)18-11-14(22)19-17-21-20-15(4-2)25-17/h6-9H,3-5,10-11H2,1-2H3,(H,18,23)(H,19,21,22)
InChIKeyFJOYQMWTFMHEHK-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.65
Rot. Bonds9

About 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 55527934) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID55527934
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C17H22N4O3S/c1-3-5-10-24-13-8-6-12(7-9-13)16(23)18-11-14(22)19-17-21-20-15(4-2)25-17/h6-9H,3-5,10-11H2,1-2H3,(H,18,23)(H,19,21,22)
InChIKeyFJOYQMWTFMHEHK-UHFFFAOYSA-N
XLogP2.65
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 34110789
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N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24648115
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
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CID 30587851
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 51138217
[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] acetate
CID 1091095
2-[[2-[[5-[(4-butoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetic acid
CID 16896678
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 55527934) is 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)Nc2nnc(CC)s2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is FJOYQMWTFMHEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-5-10-24-13-8-6-12(7-9-13)16(23)18-11-14(22)19-17-21-20-15(4-2)25-17/h6-9H,3-5,10-11H2,1-2H3,(H,18,23)(H,19,21,22).
What are the key properties of 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 362.46 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55527934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).