N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C18H26N4O3S2 — CID 55524211

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nnc(CC(C)C)s2)c(C)c1
InChIInChI=1S/C18H26N4O3S2/c1-11(2)8-16-21-22-18(26-16)20-15(23)6-7-19-27(24,25)17-13(4)9-12(3)10-14(17)5/h9-11,19H,6-8H2,1-5H3,(H,20,22,23)
InChIKeyWHGCQUZVVVHLAD-UHFFFAOYSA-N
MW410.57 g/mol
LogP2.97
Rot. Bonds8

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 55524211) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID55524211
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nnc(CC(C)C)s2)c(C)c1
InChIInChI=1S/C18H26N4O3S2/c1-11(2)8-16-21-22-18(26-16)20-15(23)6-7-19-27(24,25)17-13(4)9-12(3)10-14(17)5/h9-11,19H,6-8H2,1-5H3,(H,20,22,23)
InChIKeyWHGCQUZVVVHLAD-UHFFFAOYSA-N
XLogP2.97
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide with MolForge

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29410693
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26046308
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31264739
N-(2-bromo-4-methylphenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 4646070
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 24647753

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 55524211) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nnc(CC(C)C)s2)c(C)c1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is WHGCQUZVVVHLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-11(2)8-16-21-22-18(26-16)20-15(23)6-7-19-27(24,25)17-13(4)9-12(3)10-14(17)5/h9-11,19H,6-8H2,1-5H3,(H,20,22,23).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 410.57 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55524211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).