3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide

C18H24N4O3S2 — CID 24647555

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C18H24N4O3S2/c1-18(2,3)13-6-8-14(9-7-13)27(24,25)19-11-10-15(23)20-17-22-21-16(26-17)12-4-5-12/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,20,22,23)
InChIKeySHHSMZQTEQECHE-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.02
Rot. Bonds7

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24647555) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID24647555
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C18H24N4O3S2/c1-18(2,3)13-6-8-14(9-7-13)27(24,25)19-11-10-15(23)20-17-22-21-16(26-17)12-4-5-12/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,20,22,23)
InChIKeySHHSMZQTEQECHE-UHFFFAOYSA-N
XLogP3.02
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24647554
3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24647552
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24647572
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192985
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221296
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29412251
3-[(4-fluorophenyl)sulfonylamino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 17192257
(2S)-N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]phenyl]oxolane-2-carboxamide
CID 37395703
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate
CID 9413514

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide (CID 24647555) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is SHHSMZQTEQECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-18(2,3)13-6-8-14(9-7-13)27(24,25)19-11-10-15(23)20-17-22-21-16(26-17)12-4-5-12/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,20,22,23).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 408.55 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 24647555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).