N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide

C20H24N4O4S2 — CID 31039784

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCCCc1nnc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C20H24N4O4S2/c1-3-4-7-19-22-23-20(29-19)21-18(25)14-24(13-16-6-5-12-28-16)30(26,27)17-10-8-15(2)9-11-17/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,21,23,25)
InChIKeyDKXFRHMUZGVKBO-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.61
Rot. Bonds10

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 31039784) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID31039784
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCCCc1nnc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C20H24N4O4S2/c1-3-4-7-19-22-23-20(29-19)21-18(25)14-24(13-16-6-5-12-28-16)30(26,27)17-10-8-15(2)9-11-17/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,21,23,25)
InChIKeyDKXFRHMUZGVKBO-UHFFFAOYSA-N
XLogP3.61
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24567615
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
N-[2-[[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]ethyl]furan-2-carboxamide
CID 24683473
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
CID 86819602
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9113169
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112787957
2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 25498286
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide (CID 31039784) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide is CCCCc1nnc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is DKXFRHMUZGVKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-3-4-7-19-22-23-20(29-19)21-18(25)14-24(13-16-6-5-12-28-16)30(26,27)17-10-8-15(2)9-11-17/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,21,23,25).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 448.57 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 31039784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).