N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide

C17H24N4O3S2 — CID 110827861

IUPACN,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide
SMILESCCCc1nnc(NCC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)s1
InChIInChI=1S/C17H24N4O3S2/c1-4-7-16-19-20-17(25-16)18-12-15(22)13-8-10-14(11-9-13)26(23,24)21(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyVEKRKRXMJSINBS-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.82
Rot. Bonds10

About N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide

N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide (PubChem CID 110827861) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide
PubChem CID110827861
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide
SMILESCCCc1nnc(NCC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)s1
InChIInChI=1S/C17H24N4O3S2/c1-4-7-16-19-20-17(25-16)18-12-15(22)13-8-10-14(11-9-13)26(23,24)21(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyVEKRKRXMJSINBS-UHFFFAOYSA-N
XLogP2.82
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-bromophenyl)-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethanone
CID 110825509
4-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]acetyl]-N,N-diethylbenzenesulfonamide
CID 110827897
4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34112252
2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828958
4-[2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]amino]acetyl]-N,N-diethylbenzenesulfonamide
CID 110827972
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
N,N-diethyl-4-[2-(3-iodoanilino)acetyl]benzenesulfonamide
CID 110823994
4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide
CID 110823956
4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide
CID 110823983
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
CID 43052401
N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55540564
[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55314582

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide (CID 110827861) is N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide is CCCc1nnc(NCC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)s1.
What is the InChIKey of N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide?
The InChIKey is VEKRKRXMJSINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-4-7-16-19-20-17(25-16)18-12-15(22)13-8-10-14(11-9-13)26(23,24)21(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,18,20).
What are the key properties of N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide?
N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide has a molecular weight of 396.54 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]acetyl]benzenesulfonamide is sourced from PubChem (CID 110827861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).