2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide

C19H19BrN4O3S2 — CID 17193367

IUPAC2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCc2nnc(NC(=O)Cc3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C19H19BrN4O3S2/c1-13-2-8-16(9-3-13)29(26,27)21-11-10-18-23-24-19(28-18)22-17(25)12-14-4-6-15(20)7-5-14/h2-9,21H,10-12H2,1H3,(H,22,24,25)
InChIKeyQSYZBQUIULTNHF-UHFFFAOYSA-N
MW495.42 g/mol
LogP3.31
Rot. Bonds8

About 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 17193367) has the molecular formula C19H19BrN4O3S2 and a molecular weight of 495.42 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID17193367
Molecular FormulaC19H19BrN4O3S2
Molecular Weight495.42 g/mol
Exact Mass494.01
IUPAC Name2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCc2nnc(NC(=O)Cc3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C19H19BrN4O3S2/c1-13-2-8-16(9-3-13)29(26,27)21-11-10-18-23-24-19(28-18)22-17(25)12-14-4-6-15(20)7-5-14/h2-9,21H,10-12H2,1H3,(H,22,24,25)
InChIKeyQSYZBQUIULTNHF-UHFFFAOYSA-N
XLogP3.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193287
2-(1,3-dioxoisoindol-2-yl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193443
3-bromo-N-[2-[5-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193848
3-(4-chlorophenyl)sulfanyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17193669
4-acetamido-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193282
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193090
3-[(4-bromophenyl)sulfonylamino]-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17192467
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-[2-[5-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193875
3-bromo-N-[2-[5-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193876
N-[2-[5-(benzylsulfonylamino)-1,3,4-thiadiazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 17193206

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 17193367) is 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccc(S(=O)(=O)NCCc2nnc(NC(=O)Cc3ccc(Br)cc3)s2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QSYZBQUIULTNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3S2/c1-13-2-8-16(9-3-13)29(26,27)21-11-10-18-23-24-19(28-18)22-17(25)12-14-4-6-15(20)7-5-14/h2-9,21H,10-12H2,1H3,(H,22,24,25).
What are the key properties of 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 495.42 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 17193367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).